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

C18H19N3O3 — CID 3245449

IUPAC1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCC2CCCO2)cc2c(=O)[nH]c3ccccc3c21
InChIInChI=1S/C18H19N3O3/c1-21-15(18(23)19-10-11-5-4-8-24-11)9-13-16(21)12-6-2-3-7-14(12)20-17(13)22/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,19,23)(H,20,22)
InChIKeyQBDQQAGZGMLKRQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.93
Rot. Bonds3

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

1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 3245449) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID3245449
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCC2CCCO2)cc2c(=O)[nH]c3ccccc3c21
InChIInChI=1S/C18H19N3O3/c1-21-15(18(23)19-10-11-5-4-8-24-11)9-13-16(21)12-6-2-3-7-14(12)20-17(13)22/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,19,23)(H,20,22)
InChIKeyQBDQQAGZGMLKRQ-UHFFFAOYSA-N
XLogP1.93
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxybutyl)-N-(2-Methylpropyl)-N-[(3s,5r)-5-(Morpholine-4-Carbonyl)piperidin-3-Yl]-5-Phenyl-1h-Pyrrole-2-Carboxamide
CID 58355693
5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide
CID 5329108
(Z)-2-(5-fluoro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-3-methyl-5-(2-morpholin-4-yl-ethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one
CID 25114266
1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]indole-2-carboxamide
CID 58355366
6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-1H,3H,4H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 71696125
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5307663
N-(3-methoxypropyl)-2,9-dimethyl-1-oxo-2,9-dihydro-1H-beta-carboline-4-carboxamide
CID 16002448
2-(1,2-dimethyl-1H-indol-3-yl)-2-oxo-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 16194779
3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 3238965
N-cyclopentyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309741
(S)-2-{[2-Methyl-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-carbonyl]-amino}-3-phenyl-propionic acid methyl ester
CID 10225801
2-methyl-N-(2-methylphenyl)-1-(3-morpholinopropyl)-5-phenyl-1H-pyrrole-3-carboxamide
CID 2742554

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide (CID 3245449) is 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide is Cn1c(C(=O)NCC2CCCO2)cc2c(=O)[nH]c3ccccc3c21.
What is the InChIKey of 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is QBDQQAGZGMLKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-21-15(18(23)19-10-11-5-4-8-24-11)9-13-16(21)12-6-2-3-7-14(12)20-17(13)22/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 3245449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).