3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one

C29H30N4O2 — CID 24515334

IUPAC3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one
SMILESCC(C)c1ccc(CN2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)cc1
InChIInChI=1S/C29H30N4O2/c1-21(2)23-9-7-22(8-10-23)19-31-15-17-32(18-16-31)28(34)24-11-13-25(14-12-24)33-20-30-27-6-4-3-5-26(27)29(33)35/h3-14,20-21H,15-19H2,1-2H3
InChIKeyVIBGXCBLYZLBSN-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.47
Rot. Bonds5

About 3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one

3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one (PubChem CID 24515334) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one
PubChem CID24515334
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one
SMILESCC(C)c1ccc(CN2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)cc1
InChIInChI=1S/C29H30N4O2/c1-21(2)23-9-7-22(8-10-23)19-31-15-17-32(18-16-31)28(34)24-11-13-25(14-12-24)33-20-30-27-6-4-3-5-26(27)29(33)35/h3-14,20-21H,15-19H2,1-2H3
InChIKeyVIBGXCBLYZLBSN-UHFFFAOYSA-N
XLogP4.47
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one with MolForge

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24516184
[4-(benzimidazol-1-yl)phenyl]-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 24620150
3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one
CID 86779872
[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 9109587
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
2-[4-[4-(4-oxoquinazolin-3-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 24681800
1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea
CID 31364987
(3,4-dimethoxyphenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 9109670
2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one
CID 30758411
3-[4-[4-(2,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one
CID 39966533
3-[4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one
CID 42918205
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one?
The IUPAC name of 3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one (CID 24515334) is 3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one.
What is the SMILES notation for 3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one?
The canonical SMILES for 3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one is CC(C)c1ccc(CN2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)cc1.
What is the InChIKey of 3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one?
The InChIKey is VIBGXCBLYZLBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-21(2)23-9-7-22(8-10-23)19-31-15-17-32(18-16-31)28(34)24-11-13-25(14-12-24)33-20-30-27-6-4-3-5-26(27)29(33)35/h3-14,20-21H,15-19H2,1-2H3.
What are the key properties of 3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one?
3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one has a molecular weight of 466.59 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one is sourced from PubChem (CID 24515334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).