(E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide

C24H27N3O2 — CID 42711527

IUPAC(E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESCCCCN(C(=O)/C=C/c1ccccc1)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C24H27N3O2/c1-4-5-17-27(22(28)16-15-19-11-7-6-8-12-19)18(2)23-25-21-14-10-9-13-20(21)24(29)26(23)3/h6-16,18H,4-5,17H2,1-3H3/b16-15+
InChIKeyQMBGZDMBCVJYEQ-FOCLMDBBSA-N
MW389.50 g/mol
LogP4.34
Rot. Bonds7

About (E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 42711527) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID42711527
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESCCCCN(C(=O)/C=C/c1ccccc1)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C24H27N3O2/c1-4-5-17-27(22(28)16-15-19-11-7-6-8-12-19)18(2)23-25-21-14-10-9-13-20(21)24(29)26(23)3/h6-16,18H,4-5,17H2,1-3H3/b16-15+
InChIKeyQMBGZDMBCVJYEQ-FOCLMDBBSA-N
XLogP4.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-butyl-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenylprop-2-enamide
CID 42726527
(E)-N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide
CID 42711543
(E)-N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenylprop-2-enamide
CID 6298268
(E)-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-phenylprop-2-enamide
CID 42717440
(2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide
CID 7361866
N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515
N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 42711517
N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
CID 42711556
(E)-N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenylprop-2-enamide
CID 42727703
3-butyl-1-[2-(dimethylamino)ethyl]-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea
CID 42714274
N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide
CID 3347664

Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide (CID 42711527) is (E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide is CCCCN(C(=O)/C=C/c1ccccc1)C(C)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of (E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is QMBGZDMBCVJYEQ-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-5-17-27(22(28)16-15-19-11-7-6-8-12-19)18(2)23-25-21-14-10-9-13-20(21)24(29)26(23)3/h6-16,18H,4-5,17H2,1-3H3/b16-15+.
What are the key properties of (E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 389.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 42711527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).