N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide

C18H16ClN3O3 — CID 17464541

IUPACN-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C18H16ClN3O3/c1-11-13(19)6-4-7-14(11)20-16(23)9-10-22-15-8-3-2-5-12(15)17(24)21-18(22)25/h2-8H,9-10H2,1H3,(H,20,23)(H,21,24,25)
InChIKeyYYCDDFAXFXQWFG-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.68
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide

N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide (PubChem CID 17464541) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
PubChem CID17464541
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C18H16ClN3O3/c1-11-13(19)6-4-7-14(11)20-16(23)9-10-22-15-8-3-2-5-12(15)17(24)21-18(22)25/h2-8H,9-10H2,1H3,(H,20,23)(H,21,24,25)
InChIKeyYYCDDFAXFXQWFG-UHFFFAOYSA-N
XLogP2.68
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119439698
N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
CID 55980582
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 60602373
4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide
CID 25485041
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 166189122
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 24544090

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide (CID 17464541) is N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide is Cc1c(Cl)cccc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The InChIKey is YYCDDFAXFXQWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-11-13(19)6-4-7-14(11)20-16(23)9-10-22-15-8-3-2-5-12(15)17(24)21-18(22)25/h2-8H,9-10H2,1H3,(H,20,23)(H,21,24,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide?
N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide has a molecular weight of 357.80 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide is sourced from PubChem (CID 17464541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).