cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine

C65H78Cl2N10O4 — CID 159522767

IUPACcyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine
SMILESC1CCCC1.COc1ccc2c(Cl)cc(N[C@@H]3CCCC[C@H]3Nc3cc(Cl)c4ccc(OC)cc4n3)nc2c1.COc1ccc2c(N3CCCC3)cc(N[C@@H]3CCCC[C@H]3Nc3cc(N4CCCC4)c4ccc(OC)cc4n3)nc2c1
InChIInChI=1S/C34H42N6O2.C26H26Cl2N4O2.C5H10/c1-41-23-11-13-25-29(19-23)37-33(21-31(25)39-15-5-6-16-39)35-27-9-3-4-10-28(27)36-34-22-32(40-17-7-8-18-40)26-14-12-24(42-2)20-30(26)38-34;1-33-15-7-9-17-19(27)13-25(31-23(17)11-15)29-21-5-3-4-6-22(21)30-26-14-20(28)18-10-8-16(34-2)12-24(18)32-26;1-2-4-5-3-1/h11-14,19-22,27-28H,3-10,15-18H2,1-2H3,(H,35,37)(H,36,38);7-14,21-22H,3-6H2,1-2H3,(H,29,31)(H,30,32);1-5H2/t27-,28-;21-,22-;/m11./s1
InChIKeyMCAAIJHIQBBTJC-DSBBTHAESA-N
MW1134.31 g/mol
LogP15.73
Rot. Bonds14

About cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine

cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine (PubChem CID 159522767) has the molecular formula C65H78Cl2N10O4 and a molecular weight of 1134.31 g/mol. Its IUPAC name is cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Namecyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine
PubChem CID159522767
Molecular FormulaC65H78Cl2N10O4
Molecular Weight1134.31 g/mol
Exact Mass1132.56
IUPAC Namecyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine
SMILESC1CCCC1.COc1ccc2c(Cl)cc(N[C@@H]3CCCC[C@H]3Nc3cc(Cl)c4ccc(OC)cc4n3)nc2c1.COc1ccc2c(N3CCCC3)cc(N[C@@H]3CCCC[C@H]3Nc3cc(N4CCCC4)c4ccc(OC)cc4n3)nc2c1
InChIInChI=1S/C34H42N6O2.C26H26Cl2N4O2.C5H10/c1-41-23-11-13-25-29(19-23)37-33(21-31(25)39-15-5-6-16-39)35-27-9-3-4-10-28(27)36-34-22-32(40-17-7-8-18-40)26-14-12-24(42-2)20-30(26)38-34;1-33-15-7-9-17-19(27)13-25(31-23(17)11-15)29-21-5-3-4-6-22(21)30-26-14-20(28)18-10-8-16(34-2)12-24(18)32-26;1-2-4-5-3-1/h11-14,19-22,27-28H,3-10,15-18H2,1-2H3,(H,35,37)(H,36,38);7-14,21-22H,3-6H2,1-2H3,(H,29,31)(H,30,32);1-5H2/t27-,28-;21-,22-;/m11./s1
InChIKeyMCAAIJHIQBBTJC-DSBBTHAESA-N
XLogP15.73
TPSA143.08 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001134.31
LogP ≤ 515.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine with MolForge

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Related Compounds

trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine
CID 118548103
1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine
CID 10393752
N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine
CID 144970638
4,7-dichloro-N-cyclohexylquinolin-2-amine
CID 162413926
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
4-chloro-2-cyclobutyl-7-methoxyquinazoline
CID 90237162
7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline
CID 22641311
2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline
CID 110272527
1-(4-chloro-7-methoxyquinolin-2-yl)-3-phenylthiourea
CID 3246633
4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline
CID 110434217
N-cyclopentyl-7-methoxy-2-methylquinolin-4-amine
CID 110432874
7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine
CID 12579913

Frequently Asked Questions

What is the IUPAC name of cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine (CID 159522767) is cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine is C1CCCC1.COc1ccc2c(Cl)cc(N[C@@H]3CCCC[C@H]3Nc3cc(Cl)c4ccc(OC)cc4n3)nc2c1.COc1ccc2c(N3CCCC3)cc(N[C@@H]3CCCC[C@H]3Nc3cc(N4CCCC4)c4ccc(OC)cc4n3)nc2c1.
What is the InChIKey of cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine?
The InChIKey is MCAAIJHIQBBTJC-DSBBTHAESA-N. The full InChI is InChI=1S/C34H42N6O2.C26H26Cl2N4O2.C5H10/c1-41-23-11-13-25-29(19-23)37-33(21-31(25)39-15-5-6-16-39)35-27-9-3-4-10-28(27)36-34-22-32(40-17-7-8-18-40)26-14-12-24(42-2)20-30(26)38-34;1-33-15-7-9-17-19(27)13-25(31-23(17)11-15)29-21-5-3-4-6-22(21)30-26-14-20(28)18-10-8-16(34-2)12-24(18)32-26;1-2-4-5-3-1/h11-14,19-22,27-28H,3-10,15-18H2,1-2H3,(H,35,37)(H,36,38);7-14,21-22H,3-6H2,1-2H3,(H,29,31)(H,30,32);1-5H2/t27-,28-;21-,22-;/m11./s1.
What are the key properties of cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine?
cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine has a molecular weight of 1134.31 g/mol, XLogP of 15.73, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 159522767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).