(7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

C23H23FN4OS — CID 41285482

IUPAC(7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(c3ccccc3F)CC2)nc2c1C(=O)C[C@@H](c1cccs1)C2
InChIInChI=1S/C23H23FN4OS/c1-15-22-18(13-16(14-20(22)29)21-7-4-12-30-21)26-23(25-15)28-10-8-27(9-11-28)19-6-3-2-5-17(19)24/h2-7,12,16H,8-11,13-14H2,1H3/t16-/m0/s1
InChIKeyLZIXUTOFXZSFBR-INIZCTEOSA-N
MW422.53 g/mol
LogP4.22
Rot. Bonds3

About (7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

(7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41285482) has the molecular formula C23H23FN4OS and a molecular weight of 422.53 g/mol. Its IUPAC name is (7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID41285482
Molecular FormulaC23H23FN4OS
Molecular Weight422.53 g/mol
Exact Mass422.16
IUPAC Name(7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(c3ccccc3F)CC2)nc2c1C(=O)C[C@@H](c1cccs1)C2
InChIInChI=1S/C23H23FN4OS/c1-15-22-18(13-16(14-20(22)29)21-7-4-12-30-21)26-23(25-15)28-10-8-27(9-11-28)19-6-3-2-5-17(19)24/h2-7,12,16H,8-11,13-14H2,1H3/t16-/m0/s1
InChIKeyLZIXUTOFXZSFBR-INIZCTEOSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 7601708
(7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41455625
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 2991774
(7S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 2030205
(7S)-7-(2-fluorophenyl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 29109563
4-anilino-2-[4-(4-fluorophenyl)piperazin-1-yl]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 43902951
4-anilino-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 43902959
4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 4873963
(7R)-7-(2-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 40814783
(7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7447113
(7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 41386793
(7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7601684

Frequently Asked Questions

What is the IUPAC name of (7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (CID 41285482) is (7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(c3ccccc3F)CC2)nc2c1C(=O)C[C@@H](c1cccs1)C2.
What is the InChIKey of (7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LZIXUTOFXZSFBR-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23FN4OS/c1-15-22-18(13-16(14-20(22)29)21-7-4-12-30-21)26-23(25-15)28-10-8-27(9-11-28)19-6-3-2-5-17(19)24/h2-7,12,16H,8-11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
(7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 422.53 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41285482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).