4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide

C23H25ClFN5O2 — CID 42714450

IUPAC4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide
SMILESCC(c1nc2ccc(Cl)cc2c(=O)n1C)N1CCN(C(=O)Nc2cccc(F)c2)C(C)C1
InChIInChI=1S/C23H25ClFN5O2/c1-14-13-29(9-10-30(14)23(32)26-18-6-4-5-17(25)12-18)15(2)21-27-20-8-7-16(24)11-19(20)22(31)28(21)3/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,26,32)
InChIKeyPHIOGEAZALSDEH-UHFFFAOYSA-N
MW457.94 g/mol
LogP4.03
Rot. Bonds3

About 4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide

4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide (PubChem CID 42714450) has the molecular formula C23H25ClFN5O2 and a molecular weight of 457.94 g/mol. Its IUPAC name is 4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide
PubChem CID42714450
Molecular FormulaC23H25ClFN5O2
Molecular Weight457.94 g/mol
Exact Mass457.17
IUPAC Name4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide
SMILESCC(c1nc2ccc(Cl)cc2c(=O)n1C)N1CCN(C(=O)Nc2cccc(F)c2)C(C)C1
InChIInChI=1S/C23H25ClFN5O2/c1-14-13-29(9-10-30(14)23(32)26-18-6-4-5-17(25)12-18)15(2)21-27-20-8-7-16(24)11-19(20)22(31)28(21)3/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,26,32)
InChIKeyPHIOGEAZALSDEH-UHFFFAOYSA-N
XLogP4.03
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide with MolForge

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Related Compounds

4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3,4-dichlorophenyl)-2-methylpiperazine-1-carboxamide
CID 5136438
4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide
CID 59993137
N-(3-bromophenyl)-4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 42714872
N-(3-methoxyphenyl)-2-methyl-4-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714681
N-(2-bromophenyl)-4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 42714871
4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 59993528
N-butyl-4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 42714867
6-chloro-3-methyl-2-[1-[3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-one
CID 59701129
4-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42715213
7-chloro-2-[1-[4-(4-fluorophenyl)sulfonyl-3-methylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 42714925
6-chloro-3-ethyl-2-[1-[3-methyl-4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 42714861
6-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 59993194

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of 4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide (CID 42714450) is 4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide is CC(c1nc2ccc(Cl)cc2c(=O)n1C)N1CCN(C(=O)Nc2cccc(F)c2)C(C)C1.
What is the InChIKey of 4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is PHIOGEAZALSDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O2/c1-14-13-29(9-10-30(14)23(32)26-18-6-4-5-17(25)12-18)15(2)21-27-20-8-7-16(24)11-19(20)22(31)28(21)3/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,26,32).
What are the key properties of 4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide?
4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 457.94 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-fluorophenyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 42714450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).