N-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide

C28H30N4O4 — CID 91194864

IUPACN-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOc1c(C(=O)N(C)C2CCC(N)CC2)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
InChIInChI=1S/C28H30N4O4/c1-31(19-14-12-18(29)13-15-19)28(35)25-26(36-2)23-24(30-25)20-10-6-7-11-21(20)32(27(23)34)16-22(33)17-8-4-3-5-9-17/h3-11,18-19,30H,12-16,29H2,1-2H3
InChIKeyOSFYXTIMGMWBGD-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.72
Rot. Bonds6

About N-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide

N-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 91194864) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID91194864
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC NameN-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOc1c(C(=O)N(C)C2CCC(N)CC2)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
InChIInChI=1S/C28H30N4O4/c1-31(19-14-12-18(29)13-15-19)28(35)25-26(36-2)23-24(30-25)20-10-6-7-11-21(20)32(27(23)34)16-22(33)17-8-4-3-5-9-17/h3-11,18-19,30H,12-16,29H2,1-2H3
InChIKeyOSFYXTIMGMWBGD-UHFFFAOYSA-N
XLogP3.72
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 91159683
N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 121267614
3-methoxy-N-methyl-4-oxo-5-phenacyl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 91440551
[3-[(3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carbonyl)amino]cyclohexyl]carbamic acid
CID 163986130
[2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 143856800
3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 143856764
N-[1-(2-hydroxyethyl)-2-methylpiperidin-4-yl]-3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 143856696
N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
CID 70809892
N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 66893184
tert-butyl-[1-(3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbonyl)piperidin-4-yl]carbamic acid
CID 66892968
N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893183
N-(2-aminocyclohexyl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893035

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide (CID 91194864) is N-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is COc1c(C(=O)N(C)C2CCC(N)CC2)[nH]c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.
What is the InChIKey of N-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is OSFYXTIMGMWBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-31(19-14-12-18(29)13-15-19)28(35)25-26(36-2)23-24(30-25)20-10-6-7-11-21(20)32(27(23)34)16-22(33)17-8-4-3-5-9-17/h3-11,18-19,30H,12-16,29H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide?
N-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-methoxy-N-methyl-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 91194864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).