N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide

C20H18FN3O2 — CID 70838398

IUPACN-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nn1c(CC2CC2)nc2cc(F)ccc2c1=O
InChIInChI=1S/C20H18FN3O2/c21-15-8-9-16-17(12-15)22-18(10-14-6-7-14)24(20(16)26)23-19(25)11-13-4-2-1-3-5-13/h1-5,8-9,12,14H,6-7,10-11H2,(H,23,25)
InChIKeyIURQJCNMORZBPK-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.80
Rot. Bonds5

About N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide

N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide (PubChem CID 70838398) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide
PubChem CID70838398
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nn1c(CC2CC2)nc2cc(F)ccc2c1=O
InChIInChI=1S/C20H18FN3O2/c21-15-8-9-16-17(12-15)22-18(10-14-6-7-14)24(20(16)26)23-19(25)11-13-4-2-1-3-5-13/h1-5,8-9,12,14H,6-7,10-11H2,(H,23,25)
InChIKeyIURQJCNMORZBPK-UHFFFAOYSA-N
XLogP2.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide (CID 70838398) is N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nn1c(CC2CC2)nc2cc(F)ccc2c1=O.
What is the InChIKey of N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The InChIKey is IURQJCNMORZBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-15-8-9-16-17(12-15)22-18(10-14-6-7-14)24(20(16)26)23-19(25)11-13-4-2-1-3-5-13/h1-5,8-9,12,14H,6-7,10-11H2,(H,23,25).
What are the key properties of N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide?
N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide has a molecular weight of 351.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 70838398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).