N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide

C19H18ClN3O3 — CID 17468906

IUPACN-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C19H18ClN3O3/c1-22(12-13-5-4-6-14(20)11-13)17(24)9-10-23-16-8-3-2-7-15(16)18(25)21-19(23)26/h2-8,11H,9-10,12H2,1H3,(H,21,25,26)
InChIKeyAYIIMJSBRNGKDG-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.39
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide

N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide (PubChem CID 17468906) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
PubChem CID17468906
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C19H18ClN3O3/c1-22(12-13-5-4-6-14(20)11-13)17(24)9-10-23-16-8-3-2-7-15(16)18(25)21-19(23)26/h2-8,11H,9-10,12H2,1H3,(H,21,25,26)
InChIKeyAYIIMJSBRNGKDG-UHFFFAOYSA-N
XLogP2.39
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24552041
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 24546994
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 86925489
N-(1,3-benzothiazol-2-ylmethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 31549369
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
CID 24551664
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 27854104
N-[(3-chlorophenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18081180
N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 24546255
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613645
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 34441928
N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 78790869

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide (CID 17468906) is N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide is CN(Cc1cccc(Cl)c1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide?
The InChIKey is AYIIMJSBRNGKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-22(12-13-5-4-6-14(20)11-13)17(24)9-10-23-16-8-3-2-7-15(16)18(25)21-19(23)26/h2-8,11H,9-10,12H2,1H3,(H,21,25,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide?
N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide has a molecular weight of 371.82 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 17468906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).