N-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

C31H41N3O2 — CID 159601354

IUPACN-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(N(C)CC3CCCCC3)cc(-c3ccccc3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C31H41N3O2/c1-33(23-24-12-5-3-6-13-24)29-21-27(25-14-7-4-8-15-25)32-28-22-31(30(35-2)20-26(28)29)36-19-11-18-34-16-9-10-17-34/h4,7-8,14-15,20-22,24H,3,5-6,9-13,16-19,23H2,1-2H3
InChIKeyMLNGNXJZSDDSTA-UHFFFAOYSA-N
MW487.69 g/mol
LogP6.79
Rot. Bonds10

About N-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

N-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (PubChem CID 159601354) has the molecular formula C31H41N3O2 and a molecular weight of 487.69 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
PubChem CID159601354
Molecular FormulaC31H41N3O2
Molecular Weight487.69 g/mol
Exact Mass487.32
IUPAC NameN-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(N(C)CC3CCCCC3)cc(-c3ccccc3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C31H41N3O2/c1-33(23-24-12-5-3-6-13-24)29-21-27(25-14-7-4-8-15-25)32-28-22-31(30(35-2)20-26(28)29)36-19-11-18-34-16-9-10-17-34/h4,7-8,14-15,20-22,24H,3,5-6,9-13,16-19,23H2,1-2H3
InChIKeyMLNGNXJZSDDSTA-UHFFFAOYSA-N
XLogP6.79
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.69
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
2-(2,5-dimethylfuran-3-yl)-6-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 129270508
2-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]acetic acid
CID 130345731
3-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]propan-1-ol
CID 130345683
2-(5-ethylfuran-2-yl)-6-methoxy-N-methyl-7-[(1-methylpiperidin-4-yl)methoxy]-N-[(1-methylpiperidin-4-yl)methyl]quinolin-4-amine
CID 138601774
9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine
CID 130345739
10-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridine
CID 137479056
1-[3-[6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinolin-4-yl]oxypropyl]piperidin-4-ol
CID 162669640
4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]butanenitrile
CID 130345769
4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one
CID 130345878
6-chloro-2-methoxy-8-phenylmethoxy-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydrophenanthridine
CID 135155541
N-[1-(cyclohexylmethyl)piperidin-4-yl]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 53315872

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (CID 159601354) is N-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is COc1cc2c(N(C)CC3CCCCC3)cc(-c3ccccc3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The InChIKey is MLNGNXJZSDDSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O2/c1-33(23-24-12-5-3-6-13-24)29-21-27(25-14-7-4-8-15-25)32-28-22-31(30(35-2)20-26(28)29)36-19-11-18-34-16-9-10-17-34/h4,7-8,14-15,20-22,24H,3,5-6,9-13,16-19,23H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
N-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine has a molecular weight of 487.69 g/mol, XLogP of 6.79, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-methoxy-N-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is sourced from PubChem (CID 159601354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).