3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide

C17H18N4O4 — CID 91641112

IUPAC3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
SMILESCOc1ccc2cc(C(CC(N)=O)c3c(C)[nH][nH]c3=O)c(=O)[nH]c2c1
InChIInChI=1S/C17H18N4O4/c1-8-15(17(24)21-20-8)11(7-14(18)22)12-5-9-3-4-10(25-2)6-13(9)19-16(12)23/h3-6,11H,7H2,1-2H3,(H2,18,22)(H,19,23)(H2,20,21,24)
InChIKeyPRTBZVAVWSECBG-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.87
Rot. Bonds5

About 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide

3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide (PubChem CID 91641112) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
PubChem CID91641112
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
SMILESCOc1ccc2cc(C(CC(N)=O)c3c(C)[nH][nH]c3=O)c(=O)[nH]c2c1
InChIInChI=1S/C17H18N4O4/c1-8-15(17(24)21-20-8)11(7-14(18)22)12-5-9-3-4-10(25-2)6-13(9)19-16(12)23/h3-6,11H,7H2,1-2H3,(H2,18,22)(H,19,23)(H2,20,21,24)
InChIKeyPRTBZVAVWSECBG-UHFFFAOYSA-N
XLogP0.87
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 91637940
(3S)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]-3-(2,4,5-trimethoxyphenyl)propanamide
CID 125124290
methyl 3-(3-methoxyphenyl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanoate
CID 71704699
methyl (3R)-3-[4-(2-amino-2-oxoethoxy)phenyl]-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanoate
CID 97264844
3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one
CID 22638606
3-[(1S)-1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-oxo-3-piperidin-1-ylpropyl]-7-methoxy-1H-quinolin-2-one
CID 124917759
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate
CID 95860230
(3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide
CID 125123660
3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-7-methoxy-1H-quinolin-2-one
CID 97489168
(6-methoxy-1H-indol-2-yl)methanol
CID 10845030
3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride
CID 170889697

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide?
The IUPAC name of 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide (CID 91641112) is 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide?
The canonical SMILES for 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide is COc1ccc2cc(C(CC(N)=O)c3c(C)[nH][nH]c3=O)c(=O)[nH]c2c1.
What is the InChIKey of 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide?
The InChIKey is PRTBZVAVWSECBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-8-15(17(24)21-20-8)11(7-14(18)22)12-5-9-3-4-10(25-2)6-13(9)19-16(12)23/h3-6,11H,7H2,1-2H3,(H2,18,22)(H,19,23)(H2,20,21,24).
What are the key properties of 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide?
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide has a molecular weight of 342.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide is sourced from PubChem (CID 91641112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).