N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C20H24N4O2 — CID 95103367

IUPACN-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc2cc(CCC(=O)N[C@H](C)c3cn(C)nc3C)c(=O)[nH]c2c1
InChIInChI=1S/C20H24N4O2/c1-12-5-6-15-10-16(20(26)22-18(15)9-12)7-8-19(25)21-13(2)17-11-24(4)23-14(17)3/h5-6,9-11,13H,7-8H2,1-4H3,(H,21,25)(H,22,26)/t13-/m1/s1
InChIKeyMCMPYMJCUNTUGX-CYBMUJFWSA-N
MW352.44 g/mol
LogP2.69
Rot. Bonds5

About N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide

N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 95103367) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID95103367
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc2cc(CCC(=O)N[C@H](C)c3cn(C)nc3C)c(=O)[nH]c2c1
InChIInChI=1S/C20H24N4O2/c1-12-5-6-15-10-16(20(26)22-18(15)9-12)7-8-19(25)21-13(2)17-11-24(4)23-14(17)3/h5-6,9-11,13H,7-8H2,1-4H3,(H,21,25)(H,22,26)/t13-/m1/s1
InChIKeyMCMPYMJCUNTUGX-CYBMUJFWSA-N
XLogP2.69
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 95103367) is N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide is Cc1ccc2cc(CCC(=O)N[C@H](C)c3cn(C)nc3C)c(=O)[nH]c2c1.
What is the InChIKey of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is MCMPYMJCUNTUGX-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12-5-6-15-10-16(20(26)22-18(15)9-12)7-8-19(25)21-13(2)17-11-24(4)23-14(17)3/h5-6,9-11,13H,7-8H2,1-4H3,(H,21,25)(H,22,26)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 352.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 95103367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).