carbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium

C105H146Cl5N15O12Re5-20 — CID 162293155

IUPACcarbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium
SMILESCN(C)CC1CCCC1CNc1ccnc2cc(Cl)ccc12.CN(C)CC1CCCC1NCCNc1ccnc2cc(Cl)ccc12.Clc1ccc2c(NCC3CCCC3)ccnc2c1.Clc1ccc2c(NCCNC3CCCC3)ccnc2c1.Clc1ccc2c(NCCNCC3CCCC3)ccnc2c1.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Re].[Re].[Re].[Re].[Re]
InChIInChI=1S/C19H27ClN4.C18H24ClN3.C17H22ClN3.C16H20ClN3.C15H17ClN2.12CHO.8CH3.5Re/c1-24(2)13-14-4-3-5-17(14)22-10-11-23-18-8-9-21-19-12-15(20)6-7-16(18)19;1-22(2)12-14-5-3-4-13(14)11-21-17-8-9-20-18-10-15(19)6-7-16(17)18;18-14-5-6-15-16(7-8-20-17(15)11-14)21-10-9-19-12-13-3-1-2-4-13;17-12-5-6-14-15(7-8-19-16(14)11-12)20-10-9-18-13-3-1-2-4-13;16-12-5-6-13-14(7-8-17-15(13)9-12)18-10-11-3-1-2-4-11;12*1-2;;;;;;;;;;;;;/h6-9,12,14,17,22H,3-5,10-11,13H2,1-2H3,(H,21,23);6-10,13-14H,3-5,11-12H2,1-2H3,(H,20,21);5-8,11,13,19H,1-4,9-10,12H2,(H,20,21);5-8,11,13,18H,1-4,9-10H2,(H,19,20);5-9,11H,1-4,10H2,(H,17,18);12*1H;8*1H3;;;;;/q;;;;;20*-1;;;;;
InChIKeyBHSAXEQTAPQRKJ-UHFFFAOYSA-N
MW2918.72 g/mol
LogP20.60
Rot. Bonds26

About carbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium

carbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium (PubChem CID 162293155) has the molecular formula C105H146Cl5N15O12Re5-20 and a molecular weight of 2918.72 g/mol. Its IUPAC name is carbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium.

Molecular Properties

Compound Namecarbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium
PubChem CID162293155
Molecular FormulaC105H146Cl5N15O12Re5-20
Molecular Weight2918.72 g/mol
Exact Mass2918.76
IUPAC Namecarbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium
SMILESCN(C)CC1CCCC1CNc1ccnc2cc(Cl)ccc12.CN(C)CC1CCCC1NCCNc1ccnc2cc(Cl)ccc12.Clc1ccc2c(NCC3CCCC3)ccnc2c1.Clc1ccc2c(NCCNC3CCCC3)ccnc2c1.Clc1ccc2c(NCCNCC3CCCC3)ccnc2c1.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Re].[Re].[Re].[Re].[Re]
InChIInChI=1S/C19H27ClN4.C18H24ClN3.C17H22ClN3.C16H20ClN3.C15H17ClN2.12CHO.8CH3.5Re/c1-24(2)13-14-4-3-5-17(14)22-10-11-23-18-8-9-21-19-12-15(20)6-7-16(18)19;1-22(2)12-14-5-3-4-13(14)11-21-17-8-9-20-18-10-15(19)6-7-16(17)18;18-14-5-6-15-16(7-8-20-17(15)11-14)21-10-9-19-12-13-3-1-2-4-13;17-12-5-6-14-15(7-8-19-16(14)11-12)20-10-9-18-13-3-1-2-4-13;16-12-5-6-13-14(7-8-17-15(13)9-12)18-10-11-3-1-2-4-11;12*1-2;;;;;;;;;;;;;/h6-9,12,14,17,22H,3-5,10-11,13H2,1-2H3,(H,21,23);6-10,13-14H,3-5,11-12H2,1-2H3,(H,20,21);5-8,11,13,19H,1-4,9-10,12H2,(H,20,21);5-8,11,13,18H,1-4,9-10H2,(H,19,20);5-9,11H,1-4,10H2,(H,17,18);12*1H;8*1H3;;;;;/q;;;;;20*-1;;;;;
InChIKeyBHSAXEQTAPQRKJ-UHFFFAOYSA-N
XLogP20.60
TPSA372.01 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002918.72
LogP ≤ 520.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium?
The IUPAC name of carbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium (CID 162293155) is carbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium.
What is the SMILES notation for carbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium?
The canonical SMILES for carbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium is CN(C)CC1CCCC1CNc1ccnc2cc(Cl)ccc12.CN(C)CC1CCCC1NCCNc1ccnc2cc(Cl)ccc12.Clc1ccc2c(NCC3CCCC3)ccnc2c1.Clc1ccc2c(NCCNC3CCCC3)ccnc2c1.Clc1ccc2c(NCCNCC3CCCC3)ccnc2c1.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Re].[Re].[Re].[Re].[Re].
What is the InChIKey of carbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium?
The InChIKey is BHSAXEQTAPQRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4.C18H24ClN3.C17H22ClN3.C16H20ClN3.C15H17ClN2.12CHO.8CH3.5Re/c1-24(2)13-14-4-3-5-17(14)22-10-11-23-18-8-9-21-19-12-15(20)6-7-16(18)19;1-22(2)12-14-5-3-4-13(14)11-21-17-8-9-20-18-10-15(19)6-7-16(17)18;18-14-5-6-15-16(7-8-20-17(15)11-14)21-10-9-19-12-13-3-1-2-4-13;17-12-5-6-14-15(7-8-19-16(14)11-12)20-10-9-18-13-3-1-2-4-13;16-12-5-6-13-14(7-8-17-15(13)9-12)18-10-11-3-1-2-4-11;12*1-2;;;;;;;;;;;;;/h6-9,12,14,17,22H,3-5,10-11,13H2,1-2H3,(H,21,23);6-10,13-14H,3-5,11-12H2,1-2H3,(H,20,21);5-8,11,13,19H,1-4,9-10,12H2,(H,20,21);5-8,11,13,18H,1-4,9-10H2,(H,19,20);5-9,11H,1-4,10H2,(H,17,18);12*1H;8*1H3;;;;;/q;;;;;20*-1;;;;;.
What are the key properties of carbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium?
carbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium has a molecular weight of 2918.72 g/mol, XLogP of 20.60, 26 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;7-chloro-N-(cyclopentylmethyl)quinolin-4-amine;7-chloro-N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]quinolin-4-amine;N'-(7-chloroquinolin-4-yl)-N-cyclopentylethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-(cyclopentylmethyl)ethane-1,2-diamine;N'-(7-chloroquinolin-4-yl)-N-[2-[(dimethylamino)methyl]cyclopentyl]ethane-1,2-diamine;methanone;rhenium is sourced from PubChem (CID 162293155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).