N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide

C19H17ClFN3O2 — CID 35860309

IUPACN-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCc1cccc2c(=O)n(CCCC(=O)Nc3cccc(Cl)c3F)cnc12
InChIInChI=1S/C19H17ClFN3O2/c1-12-5-2-6-13-18(12)22-11-24(19(13)26)10-4-9-16(25)23-15-8-3-7-14(20)17(15)21/h2-3,5-8,11H,4,9-10H2,1H3,(H,23,25)
InChIKeyZEKZNWLXSZFEKM-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.92
Rot. Bonds5

About N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide

N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide (PubChem CID 35860309) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
PubChem CID35860309
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC NameN-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCc1cccc2c(=O)n(CCCC(=O)Nc3cccc(Cl)c3F)cnc12
InChIInChI=1S/C19H17ClFN3O2/c1-12-5-2-6-13-18(12)22-11-24(19(13)26)10-4-9-16(25)23-15-8-3-7-14(20)17(15)21/h2-3,5-8,11H,4,9-10H2,1H3,(H,23,25)
InChIKeyZEKZNWLXSZFEKM-UHFFFAOYSA-N
XLogP3.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 51132997
4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide
CID 17392331
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
diethyl 2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]propanedioate
CID 33254183
N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265002
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 17422636
N-(2-chlorophenyl)-2-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 34408005
methyl 5-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]thiophene-2-carboxylate
CID 24555893
4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide
CID 60532069
N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46463322
N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55462318

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide (CID 35860309) is N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide is Cc1cccc2c(=O)n(CCCC(=O)Nc3cccc(Cl)c3F)cnc12.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The InChIKey is ZEKZNWLXSZFEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-12-5-2-6-13-18(12)22-11-24(19(13)26)10-4-9-16(25)23-15-8-3-7-14(20)17(15)21/h2-3,5-8,11H,4,9-10H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide has a molecular weight of 373.82 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 35860309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).