3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one

C22H29FN4O — CID 10786275

IUPAC3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCc1nc2c(c(=O)n1CCCN1CCN(c3ccc(F)cc3)CC1)CCCC2
InChIInChI=1S/C22H29FN4O/c1-17-24-21-6-3-2-5-20(21)22(28)27(17)12-4-11-25-13-15-26(16-14-25)19-9-7-18(23)8-10-19/h7-10H,2-6,11-16H2,1H3
InChIKeyYMIMEHWSKOZMGN-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.78
Rot. Bonds5

About 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one

3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 10786275) has the molecular formula C22H29FN4O and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID10786275
Molecular FormulaC22H29FN4O
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCc1nc2c(c(=O)n1CCCN1CCN(c3ccc(F)cc3)CC1)CCCC2
InChIInChI=1S/C22H29FN4O/c1-17-24-21-6-3-2-5-20(21)22(28)27(17)12-4-11-25-13-15-26(16-14-25)19-9-7-18(23)8-10-19/h7-10H,2-6,11-16H2,1H3
InChIKeyYMIMEHWSKOZMGN-UHFFFAOYSA-N
XLogP2.78
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-methylquinoxalin-2-one
CID 139617104
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 139680137
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol
CID 54223521
2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline
CID 17035768
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine
CID 139801667
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole
CID 21258053
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-10,13-dioxa-3,4-diazatricyclo[7.4.1.05,14]tetradeca-1(14),4-diene-2,11,12-trione
CID 139680172
3-[(4-fluorophenyl)methyl]-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748350
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 3074813
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide
CID 20858323
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine
CID 139801544
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one
CID 19817590

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one (CID 10786275) is 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one is Cc1nc2c(c(=O)n1CCCN1CCN(c3ccc(F)cc3)CC1)CCCC2.
What is the InChIKey of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is YMIMEHWSKOZMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O/c1-17-24-21-6-3-2-5-20(21)22(28)27(17)12-4-11-25-13-15-26(16-14-25)19-9-7-18(23)8-10-19/h7-10H,2-6,11-16H2,1H3.
What are the key properties of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one?
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 384.50 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 10786275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).