(2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C18H22ClN3O3 — CID 22867066

IUPAC(2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc2c(c3ccc(=O)[nH]c13)OC(CNC(=O)[C@@H]1CCCN1)C2.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-10-7-11-8-12(9-20-18(23)14-3-2-6-19-14)24-17(11)13-4-5-15(22)21-16(10)13;/h4-5,7,12,14,19H,2-3,6,8-9H2,1H3,(H,20,23)(H,21,22);1H/t12?,14-;/m0./s1
InChIKeyIXAUQMABRSKIOV-KQYRMMKASA-N
MW363.85 g/mol
LogP1.43
Rot. Bonds3

About (2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 22867066) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is (2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID22867066
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name(2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc2c(c3ccc(=O)[nH]c13)OC(CNC(=O)[C@@H]1CCCN1)C2.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-10-7-11-8-12(9-20-18(23)14-3-2-6-19-14)24-17(11)13-4-5-15(22)21-16(10)13;/h4-5,7,12,14,19H,2-3,6,8-9H2,1H3,(H,20,23)(H,21,22);1H/t12?,14-;/m0./s1
InChIKeyIXAUQMABRSKIOV-KQYRMMKASA-N
XLogP1.43
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

2-(2-aminoethylsulfanylmethyl)-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one;hydrochloride
CID 23369588
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 83626481
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119679860
(2S)-1-acetyl-N-[[(2S)-7-fluoro-5-(3-fluoro-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine-2-carboxamide
CID 42347696
(2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 103812203
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119309190
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119329797
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300473

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 22867066) is (2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1cc2c(c3ccc(=O)[nH]c13)OC(CNC(=O)[C@@H]1CCCN1)C2.Cl.
What is the InChIKey of (2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is IXAUQMABRSKIOV-KQYRMMKASA-N. The full InChI is InChI=1S/C18H21N3O3.ClH/c1-10-7-11-8-12(9-20-18(23)14-3-2-6-19-14)24-17(11)13-4-5-15(22)21-16(10)13;/h4-5,7,12,14,19H,2-3,6,8-9H2,1H3,(H,20,23)(H,21,22);1H/t12?,14-;/m0./s1.
What are the key properties of (2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 22867066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).