6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine

C29H38N4O3 — CID 163559169

IUPAC6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ccc(N4CCOCC4)cc3)cc(NCC3CCC(C)CC3)c2cc1OC
InChIInChI=1S/C29H38N4O3/c1-20-4-6-21(7-5-20)19-30-25-18-29(32-26-17-28(35-3)27(34-2)16-24(25)26)31-22-8-10-23(11-9-22)33-12-14-36-15-13-33/h8-11,16-18,20-21H,4-7,12-15,19H2,1-3H3,(H2,30,31,32)
InChIKeyFPSFRDJMRZPVIV-UHFFFAOYSA-N
MW490.65 g/mol
LogP6.07
Rot. Bonds8

About 6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine

6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine (PubChem CID 163559169) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is 6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine
PubChem CID163559169
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC Name6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ccc(N4CCOCC4)cc3)cc(NCC3CCC(C)CC3)c2cc1OC
InChIInChI=1S/C29H38N4O3/c1-20-4-6-21(7-5-20)19-30-25-18-29(32-26-17-28(35-3)27(34-2)16-24(25)26)31-22-8-10-23(11-9-22)33-12-14-36-15-13-33/h8-11,16-18,20-21H,4-7,12-15,19H2,1-3H3,(H2,30,31,32)
InChIKeyFPSFRDJMRZPVIV-UHFFFAOYSA-N
XLogP6.07
TPSA67.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine with MolForge

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Related Compounds

2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117090622
7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 70977016
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 117084289
2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117079834
2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
CID 91756722
4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
CID 166865553
4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385710
2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117087554
4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 67423490
4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine
CID 22082862

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine (CID 163559169) is 6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine is COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)cc(NCC3CCC(C)CC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine?
The InChIKey is FPSFRDJMRZPVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-20-4-6-21(7-5-20)19-30-25-18-29(32-26-17-28(35-3)27(34-2)16-24(25)26)31-22-8-10-23(11-9-22)33-12-14-36-15-13-33/h8-11,16-18,20-21H,4-7,12-15,19H2,1-3H3,(H2,30,31,32).
What are the key properties of 6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine?
6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine has a molecular weight of 490.65 g/mol, XLogP of 6.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine is sourced from PubChem (CID 163559169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).