7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one

C20H22FN5O — CID 95207565

IUPAC7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
SMILESCc1nc(NCc2cc3ccc(F)cc3[nH]c2=O)cc([C@@H]2CCCNC2)n1
InChIInChI=1S/C20H22FN5O/c1-12-24-18(14-3-2-6-22-10-14)9-19(25-12)23-11-15-7-13-4-5-16(21)8-17(13)26-20(15)27/h4-5,7-9,14,22H,2-3,6,10-11H2,1H3,(H,26,27)(H,23,24,25)/t14-/m1/s1
InChIKeyAXTLBHXWBZXWOT-CQSZACIVSA-N
MW367.43 g/mol
LogP2.84
Rot. Bonds4

About 7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one

7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one (PubChem CID 95207565) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
PubChem CID95207565
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
SMILESCc1nc(NCc2cc3ccc(F)cc3[nH]c2=O)cc([C@@H]2CCCNC2)n1
InChIInChI=1S/C20H22FN5O/c1-12-24-18(14-3-2-6-22-10-14)9-19(25-12)23-11-15-7-13-4-5-16(21)8-17(13)26-20(15)27/h4-5,7-9,14,22H,2-3,6,10-11H2,1H3,(H,26,27)(H,23,24,25)/t14-/m1/s1
InChIKeyAXTLBHXWBZXWOT-CQSZACIVSA-N
XLogP2.84
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
CID 119067930
7-fluoro-3-[[[2-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
CID 126440791
7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one
CID 167866692
2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
CID 95222647
N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 175657002
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56719274
6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide
CID 166363737
4-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 56907270
7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one
CID 167956310
3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
CID 56722075
N-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 66509318
3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide
CID 110258144

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one (CID 95207565) is 7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one is Cc1nc(NCc2cc3ccc(F)cc3[nH]c2=O)cc([C@@H]2CCCNC2)n1.
What is the InChIKey of 7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is AXTLBHXWBZXWOT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-12-24-18(14-3-2-6-22-10-14)9-19(25-12)23-11-15-7-13-4-5-16(21)8-17(13)26-20(15)27/h4-5,7-9,14,22H,2-3,6,10-11H2,1H3,(H,26,27)(H,23,24,25)/t14-/m1/s1.
What are the key properties of 7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one?
7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 367.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 95207565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).