[(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone

C24H33N3O4 — CID 95802646

IUPAC[(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone
SMILESCOc1cc2cc(N)c([C@H]3CCCN(C(=O)[C@@H]4CCC[C@H](OC)C4)C3)nc2cc1OC
InChIInChI=1S/C24H33N3O4/c1-29-18-8-4-6-15(10-18)24(28)27-9-5-7-16(14-27)23-19(25)11-17-12-21(30-2)22(31-3)13-20(17)26-23/h11-13,15-16,18H,4-10,14,25H2,1-3H3/t15-,16+,18+/m1/s1
InChIKeyAESDUXIGKNVNSE-RYRKJORJSA-N
MW427.55 g/mol
LogP3.75
Rot. Bonds5

About [(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone

[(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone (PubChem CID 95802646) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is [(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone.

Molecular Properties

Compound Name[(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone
PubChem CID95802646
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name[(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone
SMILESCOc1cc2cc(N)c([C@H]3CCCN(C(=O)[C@@H]4CCC[C@H](OC)C4)C3)nc2cc1OC
InChIInChI=1S/C24H33N3O4/c1-29-18-8-4-6-15(10-18)24(28)27-9-5-7-16(14-27)23-19(25)11-17-12-21(30-2)22(31-3)13-20(17)26-23/h11-13,15-16,18H,4-10,14,25H2,1-3H3/t15-,16+,18+/m1/s1
InChIKeyAESDUXIGKNVNSE-RYRKJORJSA-N
XLogP3.75
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone with MolForge

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Related Compounds

1-[(3R)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
CID 92610986
1-[4-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 110222568
4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 110222610
2-[(3S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136899364
[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 110248847
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
(3-methoxypiperidin-1-yl)-pyrrolidin-3-ylmethanone
CID 103809318
(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 92606329
[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95806590
2-[(3S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136673800
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 110258686
cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95809673

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone?
The IUPAC name of [(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone (CID 95802646) is [(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone.
What is the SMILES notation for [(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone?
The canonical SMILES for [(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone is COc1cc2cc(N)c([C@H]3CCCN(C(=O)[C@@H]4CCC[C@H](OC)C4)C3)nc2cc1OC.
What is the InChIKey of [(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone?
The InChIKey is AESDUXIGKNVNSE-RYRKJORJSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-29-18-8-4-6-15(10-18)24(28)27-9-5-7-16(14-27)23-19(25)11-17-12-21(30-2)22(31-3)13-20(17)26-23/h11-13,15-16,18H,4-10,14,25H2,1-3H3/t15-,16+,18+/m1/s1.
What are the key properties of [(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone?
[(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone has a molecular weight of 427.55 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3-amino-6,7-dimethoxyquinolin-2-yl)piperidin-1-yl]-[(1R,3S)-3-methoxycyclohexyl]methanone is sourced from PubChem (CID 95802646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).