N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide

C30H31N3O3 — CID 3347664

IUPACN-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(CCCOC)C(=O)C=Cc1ccccc1
InChIInChI=1S/C30H31N3O3/c1-3-27(32(21-12-22-36-2)28(34)20-19-23-13-6-4-7-14-23)29-31-26-18-11-10-17-25(26)30(35)33(29)24-15-8-5-9-16-24/h4-11,13-20,27H,3,12,21-22H2,1-2H3
InChIKeyOSCVIESNRBKIFR-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.42
Rot. Bonds10

About N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide

N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide (PubChem CID 3347664) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide
PubChem CID3347664
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC NameN-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(CCCOC)C(=O)C=Cc1ccccc1
InChIInChI=1S/C30H31N3O3/c1-3-27(32(21-12-22-36-2)28(34)20-19-23-13-6-4-7-14-23)29-31-26-18-11-10-17-25(26)30(35)33(29)24-15-8-5-9-16-24/h4-11,13-20,27H,3,12,21-22H2,1-2H3
InChIKeyOSCVIESNRBKIFR-UHFFFAOYSA-N
XLogP5.42
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenylprop-2-enamide
CID 42727703
N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42728662
N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42727633
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 42728547
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 42727829
N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide
CID 5141628
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)hexanamide
CID 42728546
3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide
CID 42727836
(E)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-(4-nitrophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 42723540
(E)-N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenylprop-2-enamide
CID 6298268
(E)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-(4-nitrophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 42716681
N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717584

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide?
The IUPAC name of N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide (CID 3347664) is N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(CCCOC)C(=O)C=Cc1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide?
The InChIKey is OSCVIESNRBKIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-3-27(32(21-12-22-36-2)28(34)20-19-23-13-6-4-7-14-23)29-31-26-18-11-10-17-25(26)30(35)33(29)24-15-8-5-9-16-24/h4-11,13-20,27H,3,12,21-22H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide?
N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide has a molecular weight of 481.60 g/mol, XLogP of 5.42, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 3347664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).