[(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

C24H29FN6O — CID 42162830

IUPAC[(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCc1nc(N2CCC(N3CCC[C@H](C(=O)c4nccn4C)C3)CC2)nc2ccc(F)cc12
InChIInChI=1S/C24H29FN6O/c1-16-20-14-18(25)5-6-21(20)28-24(27-16)30-11-7-19(8-12-30)31-10-3-4-17(15-31)22(32)23-26-9-13-29(23)2/h5-6,9,13-14,17,19H,3-4,7-8,10-12,15H2,1-2H3/t17-/m0/s1
InChIKeyKUOXDPGLMTYCEV-KRWDZBQOSA-N
MW436.54 g/mol
LogP3.37
Rot. Bonds4

About [(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

[(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 42162830) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is [(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID42162830
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC Name[(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCc1nc(N2CCC(N3CCC[C@H](C(=O)c4nccn4C)C3)CC2)nc2ccc(F)cc12
InChIInChI=1S/C24H29FN6O/c1-16-20-14-18(25)5-6-21(20)28-24(27-16)30-11-7-19(8-12-30)31-10-3-4-17(15-31)22(32)23-26-9-13-29(23)2/h5-6,9,13-14,17,19H,3-4,7-8,10-12,15H2,1-2H3/t17-/m0/s1
InChIKeyKUOXDPGLMTYCEV-KRWDZBQOSA-N
XLogP3.37
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone 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

6-fluoro-4-methyl-2-piperidin-1-ylquinazoline
CID 139333383
2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline
CID 45192143
[4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42248070
6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72906962
1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine
CID 45222958
(4R)-1-(6-fluoro-4-methylquinazolin-2-yl)-N-(2,2,2-trifluoroethyl)azepan-4-amine
CID 125165033
[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 135098500
4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline
CID 142905223
[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70742832
[(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone
CID 42483271
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 97199860

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (CID 42162830) is [(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is Cc1nc(N2CCC(N3CCC[C@H](C(=O)c4nccn4C)C3)CC2)nc2ccc(F)cc12.
What is the InChIKey of [(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is KUOXDPGLMTYCEV-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H29FN6O/c1-16-20-14-18(25)5-6-21(20)28-24(27-16)30-11-7-19(8-12-30)31-10-3-4-17(15-31)22(32)23-26-9-13-29(23)2/h5-6,9,13-14,17,19H,3-4,7-8,10-12,15H2,1-2H3/t17-/m0/s1.
What are the key properties of [(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
[(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 436.54 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 42162830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).