N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide

C27H25ClN4O2 — CID 24516184

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C27H25ClN4O2/c28-21-9-5-19(6-10-21)17-31-15-13-22(14-16-31)30-26(33)20-7-11-23(12-8-20)32-18-29-25-4-2-1-3-24(25)27(32)34/h1-12,18,22H,13-17H2,(H,30,33)
InChIKeyNBJHYJJQLTWPND-UHFFFAOYSA-N
MW472.98 g/mol
LogP4.43
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide (PubChem CID 24516184) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide
PubChem CID24516184
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C27H25ClN4O2/c28-21-9-5-19(6-10-21)17-31-15-13-22(14-16-31)30-26(33)20-7-11-23(12-8-20)32-18-29-25-4-2-1-3-24(25)27(32)34/h1-12,18,22H,13-17H2,(H,30,33)
InChIKeyNBJHYJJQLTWPND-UHFFFAOYSA-N
XLogP4.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one
CID 24515334
4-[[2-[(4-chlorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-cyclopropylbenzamide
CID 46351140
4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide
CID 46438180
N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 25392161
N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53008425
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604
4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide
CID 91278506
4-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-cyclopentylbenzamide
CID 46351211
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
4-(benzimidazol-1-yl)-N-cyclopentylbenzamide
CID 22110686
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide (CID 24516184) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide is O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide?
The InChIKey is NBJHYJJQLTWPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c28-21-9-5-19(6-10-21)17-31-15-13-22(14-16-31)30-26(33)20-7-11-23(12-8-20)32-18-29-25-4-2-1-3-24(25)27(32)34/h1-12,18,22H,13-17H2,(H,30,33).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide has a molecular weight of 472.98 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 24516184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).