N-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine

C26H26Cl2N4 — CID 18933498

IUPACN-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine
SMILESNC(c1ccnc2cc(Cl)ccc12)C1CCCC(CNc2ccnc3cc(Cl)ccc23)C1
InChIInChI=1S/C26H26Cl2N4/c27-18-4-6-20-21(8-10-30-24(20)13-18)26(29)17-3-1-2-16(12-17)15-32-23-9-11-31-25-14-19(28)5-7-22(23)25/h4-11,13-14,16-17,26H,1-3,12,15,29H2,(H,31,32)
InChIKeyLSEHKVPWLPGSLL-UHFFFAOYSA-N
MW465.43 g/mol
LogP7.01
Rot. Bonds5

About N-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine

N-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine (PubChem CID 18933498) has the molecular formula C26H26Cl2N4 and a molecular weight of 465.43 g/mol. Its IUPAC name is N-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine
PubChem CID18933498
Molecular FormulaC26H26Cl2N4
Molecular Weight465.43 g/mol
Exact Mass464.15
IUPAC NameN-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine
SMILESNC(c1ccnc2cc(Cl)ccc12)C1CCCC(CNc2ccnc3cc(Cl)ccc23)C1
InChIInChI=1S/C26H26Cl2N4/c27-18-4-6-20-21(8-10-30-24(20)13-18)26(29)17-3-1-2-16(12-17)15-32-23-9-11-31-25-14-19(28)5-7-22(23)25/h4-11,13-14,16-17,26H,1-3,12,15,29H2,(H,31,32)
InChIKeyLSEHKVPWLPGSLL-UHFFFAOYSA-N
XLogP7.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.43
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine with MolForge

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Related Compounds

7-chloro-N-[[3-[[(7-chloroquinolin-4-yl)amino]methyl]cyclohexyl]methyl]quinolin-4-amine
CID 54463562
7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine
CID 64742610
3-[[(7-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106120055
2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
N-[[4-[amino-(7-chloroquinolin-4-yl)methyl]phenyl]methyl]-7-chloroquinolin-4-amine
CID 18933497
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine
CID 63120842
1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159058
7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine
CID 104973339
CID 10433026
CID 10433026
(2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992313
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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine?
The IUPAC name of N-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine (CID 18933498) is N-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine.
What is the SMILES notation for N-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine?
The canonical SMILES for N-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine is NC(c1ccnc2cc(Cl)ccc12)C1CCCC(CNc2ccnc3cc(Cl)ccc23)C1.
What is the InChIKey of N-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine?
The InChIKey is LSEHKVPWLPGSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4/c27-18-4-6-20-21(8-10-30-24(20)13-18)26(29)17-3-1-2-16(12-17)15-32-23-9-11-31-25-14-19(28)5-7-22(23)25/h4-11,13-14,16-17,26H,1-3,12,15,29H2,(H,31,32).
What are the key properties of N-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine?
N-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine has a molecular weight of 465.43 g/mol, XLogP of 7.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[amino-(7-chloroquinolin-4-yl)methyl]cyclohexyl]methyl]-7-chloroquinolin-4-amine is sourced from PubChem (CID 18933498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).