N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide

C25H29N5O2 — CID 70687997

IUPACN-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide
SMILESCc1ccc(NC(=O)C2CCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C25H29N5O2/c1-17-6-7-19(27-24(31)18-4-3-5-18)14-23(17)30-16-26-22-9-8-20(15-21(22)25(30)32)29-12-10-28(2)11-13-29/h6-9,14-16,18H,3-5,10-13H2,1-2H3,(H,27,31)
InChIKeyQANOYHPJGUQUJD-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.18
Rot. Bonds4

About N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide

N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide (PubChem CID 70687997) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide
PubChem CID70687997
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide
SMILESCc1ccc(NC(=O)C2CCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C25H29N5O2/c1-17-6-7-19(27-24(31)18-4-3-5-18)14-23(17)30-16-26-22-9-8-20(15-21(22)25(30)32)29-12-10-28(2)11-13-29/h6-9,14-16,18H,3-5,10-13H2,1-2H3,(H,27,31)
InChIKeyQANOYHPJGUQUJD-UHFFFAOYSA-N
XLogP3.18
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

AZ-628
CID 11676786
Azd-6703
CID 11373432
N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea
CID 155920150
3(4H)-Quinazolineacetamide, 4-oxo-N-phenyl-
CID 742756
4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488
2-[4-(4-Fluorophenyl)piperazin-1-YL]-2-oxo-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-B]quinazolin-2-YL}acetamide
CID 23602318
1-(3,3-Dimethylbutyl)-3-[2-fluoro-4-methyl-5-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]urea
CID 166626191
N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 975079
N-(2-fluorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4908980
2-methyl-N-(11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24748024
2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429226
3-((4-(4-phenylpiperazine-1-carbonyl)cyclohexyl)methyl)quinazolin-4(3H)-one
CID 4908558

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide (CID 70687997) is N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide is Cc1ccc(NC(=O)C2CCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O.
What is the InChIKey of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide?
The InChIKey is QANOYHPJGUQUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17-6-7-19(27-24(31)18-4-3-5-18)14-23(17)30-16-26-22-9-8-20(15-21(22)25(30)32)29-12-10-28(2)11-13-29/h6-9,14-16,18H,3-5,10-13H2,1-2H3,(H,27,31).
What are the key properties of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide?
N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 70687997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).