3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C19H21N5O2 — CID 133394043

IUPAC3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCOc1cccc2c(NC3CCN(c4cnn(C)c4)C3=O)cc(C)nc12
InChIInChI=1S/C19H21N5O2/c1-12-9-16(14-5-4-6-17(26-3)18(14)21-12)22-15-7-8-24(19(15)25)13-10-20-23(2)11-13/h4-6,9-11,15H,7-8H2,1-3H3,(H,21,22)
InChIKeyNBEMHASOWDJXRA-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.50
Rot. Bonds4

About 3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 133394043) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID133394043
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCOc1cccc2c(NC3CCN(c4cnn(C)c4)C3=O)cc(C)nc12
InChIInChI=1S/C19H21N5O2/c1-12-9-16(14-5-4-6-17(26-3)18(14)21-12)22-15-7-8-24(19(15)25)13-10-20-23(2)11-13/h4-6,9-11,15H,7-8H2,1-3H3,(H,21,22)
InChIKeyNBEMHASOWDJXRA-UHFFFAOYSA-N
XLogP2.50
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133306340
8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine
CID 133388731
N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369212
cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133369295
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one
CID 137271144
1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one
CID 133306428
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 133304730
N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide
CID 133306320
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 124609460

Frequently Asked Questions

What is the IUPAC name of 3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 133394043) is 3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is COc1cccc2c(NC3CCN(c4cnn(C)c4)C3=O)cc(C)nc12.
What is the InChIKey of 3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is NBEMHASOWDJXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-9-16(14-5-4-6-17(26-3)18(14)21-12)22-15-7-8-24(19(15)25)13-10-20-23(2)11-13/h4-6,9-11,15H,7-8H2,1-3H3,(H,21,22).
What are the key properties of 3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 133394043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).