N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C18H15FN4O4 — CID 55462318

IUPACN-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)cnc12
InChIInChI=1S/C18H15FN4O4/c1-11-3-2-4-13-17(11)20-10-22(18(13)25)8-7-16(24)21-15-9-12(23(26)27)5-6-14(15)19/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeyPBPIFBKFAQWAMI-UHFFFAOYSA-N
MW370.34 g/mol
LogP2.78
Rot. Bonds5

About N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 55462318) has the molecular formula C18H15FN4O4 and a molecular weight of 370.34 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID55462318
Molecular FormulaC18H15FN4O4
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC NameN-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)cnc12
InChIInChI=1S/C18H15FN4O4/c1-11-3-2-4-13-17(11)20-10-22(18(13)25)8-7-16(24)21-15-9-12(23(26)27)5-6-14(15)19/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeyPBPIFBKFAQWAMI-UHFFFAOYSA-N
XLogP2.78
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265002
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992
3-(2,6-dimethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 52696119
N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46463322
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
methyl 4,5-dimethoxy-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 27133646
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 35860309
N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27134373
N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 51132997
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 55462318) is N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc2c(=O)n(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)cnc12.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is PBPIFBKFAQWAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4/c1-11-3-2-4-13-17(11)20-10-22(18(13)25)8-7-16(24)21-15-9-12(23(26)27)5-6-14(15)19/h2-6,9-10H,7-8H2,1H3,(H,21,24).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 370.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 55462318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).