4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile

C19H17N5O — CID 146240311

IUPAC4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile
SMILESCc1ccc2[nH]c(=O)c(CNc3ncc(C#N)c(C4CC4)n3)cc2c1
InChIInChI=1S/C19H17N5O/c1-11-2-5-16-13(6-11)7-14(18(25)23-16)9-21-19-22-10-15(8-20)17(24-19)12-3-4-12/h2,5-7,10,12H,3-4,9H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyZTWZTTATGZTLSQ-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.99
Rot. Bonds4

About 4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile

4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile (PubChem CID 146240311) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile
PubChem CID146240311
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile
SMILESCc1ccc2[nH]c(=O)c(CNc3ncc(C#N)c(C4CC4)n3)cc2c1
InChIInChI=1S/C19H17N5O/c1-11-2-5-16-13(6-11)7-14(18(25)23-16)9-21-19-22-10-15(8-20)17(24-19)12-3-4-12/h2,5-7,10,12H,3-4,9H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyZTWZTTATGZTLSQ-UHFFFAOYSA-N
XLogP2.99
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(cyclopentylamino)methyl]-6-methyl-1H-quinolin-2-one
CID 863819
2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110414664
3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318648
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110662673
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
3-[(3,4-dimethoxyanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 95855590
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one
CID 84635994
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one
CID 170631820
6-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-4-methoxypyridine-3-carbonitrile
CID 130456105

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile (CID 146240311) is 4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile is Cc1ccc2[nH]c(=O)c(CNc3ncc(C#N)c(C4CC4)n3)cc2c1.
What is the InChIKey of 4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile?
The InChIKey is ZTWZTTATGZTLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-11-2-5-16-13(6-11)7-14(18(25)23-16)9-21-19-22-10-15(8-20)17(24-19)12-3-4-12/h2,5-7,10,12H,3-4,9H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile?
4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile has a molecular weight of 331.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 146240311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).