[4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone

C26H30FN5O2 — CID 42248070

IUPAC[4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C3CCN(c4nc(C)c5cc(F)ccc5n4)CC3)CC2)cc1
InChIInChI=1S/C26H30FN5O2/c1-18-23-17-20(27)5-8-24(23)29-26(28-18)32-11-9-21(10-12-32)30-13-15-31(16-14-30)25(33)19-3-6-22(34-2)7-4-19/h3-8,17,21H,9-16H2,1-2H3
InChIKeyGGCAGMUKSKXGGA-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.51
Rot. Bonds4

About [4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 42248070) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is [4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID42248070
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name[4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C3CCN(c4nc(C)c5cc(F)ccc5n4)CC3)CC2)cc1
InChIInChI=1S/C26H30FN5O2/c1-18-23-17-20(27)5-8-24(23)29-26(28-18)32-11-9-21(10-12-32)30-13-15-31(16-14-30)25(33)19-3-6-22(34-2)7-4-19/h3-8,17,21H,9-16H2,1-2H3
InChIKeyGGCAGMUKSKXGGA-UHFFFAOYSA-N
XLogP3.51
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone with MolForge

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Related Compounds

[4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 171342416
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
6-fluoro-4-methyl-2-piperidin-1-ylquinazoline
CID 139333383
(4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2910930
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7539121
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
[(3S)-1-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 42162830
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110802471
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110404178
1-(6-fluoro-4-methylquinazolin-2-yl)-N-(oxan-4-yl)azepan-4-amine
CID 45222958

Frequently Asked Questions

What is the IUPAC name of [4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 42248070) is [4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(C3CCN(c4nc(C)c5cc(F)ccc5n4)CC3)CC2)cc1.
What is the InChIKey of [4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is GGCAGMUKSKXGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-18-23-17-20(27)5-8-24(23)29-26(28-18)32-11-9-21(10-12-32)30-13-15-31(16-14-30)25(33)19-3-6-22(34-2)7-4-19/h3-8,17,21H,9-16H2,1-2H3.
What are the key properties of [4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 463.56 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 42248070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).