(3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide

C19H25N3O4 — CID 95212553

IUPAC(3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C1
InChIInChI=1S/C19H25N3O4/c1-4-20-18(23)12-5-6-22(10-12)11-14-7-13-8-16(25-2)17(26-3)9-15(13)21-19(14)24/h7-9,12H,4-6,10-11H2,1-3H3,(H,20,23)(H,21,24)/t12-/m0/s1
InChIKeyZSFNDSCWBBEDSQ-LBPRGKRZSA-N
MW359.43 g/mol
LogP1.50
Rot. Bonds6

About (3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide

(3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide (PubChem CID 95212553) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
PubChem CID95212553
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C1
InChIInChI=1S/C19H25N3O4/c1-4-20-18(23)12-5-6-22(10-12)11-14-7-13-8-16(25-2)17(26-3)9-15(13)21-19(14)24/h7-9,12H,4-6,10-11H2,1-3H3,(H,20,23)(H,21,24)/t12-/m0/s1
InChIKeyZSFNDSCWBBEDSQ-LBPRGKRZSA-N
XLogP1.50
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

3-[[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 56701960
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324982
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]cyclohexanecarboxamide
CID 110415534
methyl 1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 56719378
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324984
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
CID 110324991
(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 124906654
1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920
1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198921
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56747678
3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 95855654
N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 56785604

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide (CID 95212553) is (3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide is CCNC(=O)[C@H]1CCN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C1.
What is the InChIKey of (3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide?
The InChIKey is ZSFNDSCWBBEDSQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-4-20-18(23)12-5-6-22(10-12)11-14-7-13-8-16(25-2)17(26-3)9-15(13)21-19(14)24/h7-9,12H,4-6,10-11H2,1-3H3,(H,20,23)(H,21,24)/t12-/m0/s1.
What are the key properties of (3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide?
(3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95212553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).