N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide

C20H20N4O3 — CID 166413998

IUPACN-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1
InChIInChI=1S/C20H20N4O3/c1-4-18(25)24(3)16-8-5-13(6-9-16)19(26)21-15-7-10-17-14(11-15)12-23(2)20(27)22-17/h4-11H,1,12H2,2-3H3,(H,21,26)(H,22,27)
InChIKeySGRCSQMVSKDKIN-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.07
Rot. Bonds4

About N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide

N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide (PubChem CID 166413998) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
PubChem CID166413998
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1
InChIInChI=1S/C20H20N4O3/c1-4-18(25)24(3)16-8-5-13(6-9-16)19(26)21-15-7-10-17-14(11-15)12-23(2)20(27)22-17/h4-11H,1,12H2,2-3H3,(H,21,26)(H,22,27)
InChIKeySGRCSQMVSKDKIN-UHFFFAOYSA-N
XLogP3.07
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl(prop-2-enoyl)amino]-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide
CID 166413864
N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413609
N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 167804046
N-(1,3-benzothiazol-5-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413965
3-chloro-5-[[4-[methyl(prop-2-enoyl)amino]benzoyl]amino]benzamide
CID 166414265
N-[4-(3-amino-3-oxopropyl)phenyl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413861
4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 166413633
6-(4-bromobenzoyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82005965
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414201
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909
4-[methyl(prop-2-enoyl)amino]-N-(1-phenyltriazol-4-yl)benzamide
CID 166413727

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The IUPAC name of N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide (CID 166413998) is N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide is C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1.
What is the InChIKey of N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The InChIKey is SGRCSQMVSKDKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-4-18(25)24(3)16-8-5-13(6-9-16)19(26)21-15-7-10-17-14(11-15)12-23(2)20(27)22-17/h4-11H,1,12H2,2-3H3,(H,21,26)(H,22,27).
What are the key properties of N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide?
N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide has a molecular weight of 364.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide is sourced from PubChem (CID 166413998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).