N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide

C35H35N3O3 — CID 42723446

IUPACN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C35H35N3O3/c1-3-30(37(25-24-27-16-8-5-9-17-27)33(39)23-22-26-14-6-4-7-15-26)34-36-29-19-11-10-18-28(29)35(40)38(34)31-20-12-13-21-32(31)41-2/h4-21,30H,3,22-25H2,1-2H3
InChIKeyFAJQFMVVPFEUTK-UHFFFAOYSA-N
MW545.68 g/mol
LogP6.55
Rot. Bonds11

About N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide

N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide (PubChem CID 42723446) has the molecular formula C35H35N3O3 and a molecular weight of 545.68 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide
PubChem CID42723446
Molecular FormulaC35H35N3O3
Molecular Weight545.68 g/mol
Exact Mass545.27
IUPAC NameN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C35H35N3O3/c1-3-30(37(25-24-27-16-8-5-9-17-27)33(39)23-22-26-14-6-4-7-15-26)34-36-29-19-11-10-18-28(29)35(40)38(34)31-20-12-13-21-32(31)41-2/h4-21,30H,3,22-25H2,1-2H3
InChIKeyFAJQFMVVPFEUTK-UHFFFAOYSA-N
XLogP6.55
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.68
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide?
The IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide (CID 42723446) is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCc1ccccc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide?
The InChIKey is FAJQFMVVPFEUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N3O3/c1-3-30(37(25-24-27-16-8-5-9-17-27)33(39)23-22-26-14-6-4-7-15-26)34-36-29-19-11-10-18-28(29)35(40)38(34)31-20-12-13-21-32(31)41-2/h4-21,30H,3,22-25H2,1-2H3.
What are the key properties of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide?
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide has a molecular weight of 545.68 g/mol, XLogP of 6.55, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 42723446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).