N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide

C20H16Cl2FN3O2 — CID 17404805

IUPACN-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C20H16Cl2FN3O2/c21-13-7-15-19(16(22)8-13)24-11-25(20(15)28)10-18(27)26(14-5-6-14)9-12-3-1-2-4-17(12)23/h1-4,7-8,11,14H,5-6,9-10H2
InChIKeyNNNCJEKAQMAMAY-UHFFFAOYSA-N
MW420.27 g/mol
LogP4.03
Rot. Bonds5

About N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide

N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 17404805) has the molecular formula C20H16Cl2FN3O2 and a molecular weight of 420.27 g/mol. Its IUPAC name is N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID17404805
Molecular FormulaC20H16Cl2FN3O2
Molecular Weight420.27 g/mol
Exact Mass419.06
IUPAC NameN-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C20H16Cl2FN3O2/c21-13-7-15-19(16(22)8-13)24-11-25(20(15)28)10-18(27)26(14-5-6-14)9-12-3-1-2-4-17(12)23/h1-4,7-8,11,14H,5-6,9-10H2
InChIKeyNNNCJEKAQMAMAY-UHFFFAOYSA-N
XLogP4.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 17404805) is N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide is O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is NNNCJEKAQMAMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN3O2/c21-13-7-15-19(16(22)8-13)24-11-25(20(15)28)10-18(27)26(14-5-6-14)9-12-3-1-2-4-17(12)23/h1-4,7-8,11,14H,5-6,9-10H2.
What are the key properties of N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 420.27 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 17404805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).