4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide

C19H22N6O3 — CID 126444796

IUPAC4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide
SMILESCOc1ccnc(N2CCN(C(=O)N[C@@H]3CC(=O)Nc4ccccc43)CC2)n1
InChIInChI=1S/C19H22N6O3/c1-28-17-6-7-20-18(23-17)24-8-10-25(11-9-24)19(27)22-15-12-16(26)21-14-5-3-2-4-13(14)15/h2-7,15H,8-12H2,1H3,(H,21,26)(H,22,27)/t15-/m1/s1
InChIKeyFIWKZTKVHAVISS-OAHLLOKOSA-N
MW382.42 g/mol
LogP1.40
Rot. Bonds3

About 4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide

4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide (PubChem CID 126444796) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide
PubChem CID126444796
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide
SMILESCOc1ccnc(N2CCN(C(=O)N[C@@H]3CC(=O)Nc4ccccc43)CC2)n1
InChIInChI=1S/C19H22N6O3/c1-28-17-6-7-20-18(23-17)24-8-10-25(11-9-24)19(27)22-15-12-16(26)21-14-5-3-2-4-13(14)15/h2-7,15H,8-12H2,1H3,(H,21,26)(H,22,27)/t15-/m1/s1
InChIKeyFIWKZTKVHAVISS-OAHLLOKOSA-N
XLogP1.40
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide
CID 126449547
N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 126791623
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 126780709
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95145272
6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 56798159
2,3-dihydro-1-benzofuran-2-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 56799030
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 86967389
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-phenylmethanethione;hydrochloride
CID 22617971
(2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 94669112
2,5-dihydro-1H-pyrrol-2-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 154910700
2-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile;hydrochloride
CID 10269857

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide (CID 126444796) is 4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide is COc1ccnc(N2CCN(C(=O)N[C@@H]3CC(=O)Nc4ccccc43)CC2)n1.
What is the InChIKey of 4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide?
The InChIKey is FIWKZTKVHAVISS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-28-17-6-7-20-18(23-17)24-8-10-25(11-9-24)19(27)22-15-12-16(26)21-14-5-3-2-4-13(14)15/h2-7,15H,8-12H2,1H3,(H,21,26)(H,22,27)/t15-/m1/s1.
What are the key properties of 4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide?
4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 126444796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).