1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide

C22H21N3O2 — CID 20857441

IUPAC1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCc1cccc(CCNC(=O)c2cc3c(=O)[nH]c4ccccc4c3n2C)c1
InChIInChI=1S/C22H21N3O2/c1-14-6-5-7-15(12-14)10-11-23-22(27)19-13-17-20(25(19)2)16-8-3-4-9-18(16)24-21(17)26/h3-9,12-13H,10-11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeySTGBAUNGJLSPAT-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.30
Rot. Bonds4

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

1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 20857441) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID20857441
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCc1cccc(CCNC(=O)c2cc3c(=O)[nH]c4ccccc4c3n2C)c1
InChIInChI=1S/C22H21N3O2/c1-14-6-5-7-15(12-14)10-11-23-22(27)19-13-17-20(25(19)2)16-8-3-4-9-18(16)24-21(17)26/h3-9,12-13H,10-11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeySTGBAUNGJLSPAT-UHFFFAOYSA-N
XLogP3.30
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 3706127
N-[2-(diethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 126458217
1-methyl-4-oxo-N-(pyridin-3-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 20857406
N-(furan-2-ylmethyl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 3243455
2-(3-methylphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110662740
N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 20857409
3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 113204204
5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731731
2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62315224
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993936
1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide
CID 60611737
1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide
CID 97441793

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide (CID 20857441) is 1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide is Cc1cccc(CCNC(=O)c2cc3c(=O)[nH]c4ccccc4c3n2C)c1.
What is the InChIKey of 1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is STGBAUNGJLSPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-6-5-7-15(12-14)10-11-23-22(27)19-13-17-20(25(19)2)16-8-3-4-9-18(16)24-21(17)26/h3-9,12-13H,10-11H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20857441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).