N-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide

C19H17ClFN3O2 — CID 137169010

IUPACN-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(Cl)c(-c2nc3cc(F)ccc3c(=O)[nH]2)c1
InChIInChI=1S/C19H17ClFN3O2/c1-10(2)18(25)22-9-11-3-6-15(20)14(7-11)17-23-16-8-12(21)4-5-13(16)19(26)24-17/h3-8,10H,9H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyMFOCPIUKGPNOPV-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.65
Rot. Bonds4

About N-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide

N-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide (PubChem CID 137169010) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is N-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
PubChem CID137169010
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC NameN-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(Cl)c(-c2nc3cc(F)ccc3c(=O)[nH]2)c1
InChIInChI=1S/C19H17ClFN3O2/c1-10(2)18(25)22-9-11-3-6-15(20)14(7-11)17-23-16-8-12(21)4-5-13(16)19(26)24-17/h3-8,10H,9H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyMFOCPIUKGPNOPV-UHFFFAOYSA-N
XLogP3.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide (CID 137169010) is N-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1ccc(Cl)c(-c2nc3cc(F)ccc3c(=O)[nH]2)c1.
What is the InChIKey of N-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide?
The InChIKey is MFOCPIUKGPNOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-10(2)18(25)22-9-11-3-6-15(20)14(7-11)17-23-16-8-12(21)4-5-13(16)19(26)24-17/h3-8,10H,9H2,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide?
N-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide has a molecular weight of 373.82 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(7-fluoro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 137169010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).