3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide

C23H21N3O3 — CID 46662175

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide
SMILESCC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C23H21N3O3/c1-15(17-11-6-8-16-7-2-3-9-18(16)17)24-21(27)13-14-26-20-12-5-4-10-19(20)22(28)25-23(26)29/h2-12,15H,13-14H2,1H3,(H,24,27)(H,25,28,29)
InChIKeyRCOQJZPFVPZQRC-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.11
Rot. Bonds5

About 3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide (PubChem CID 46662175) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide
PubChem CID46662175
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide
SMILESCC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C23H21N3O3/c1-15(17-11-6-8-16-7-2-3-9-18(16)17)24-21(27)13-14-26-20-12-5-4-10-19(20)22(28)25-23(26)29/h2-12,15H,13-14H2,1H3,(H,24,27)(H,25,28,29)
InChIKeyRCOQJZPFVPZQRC-UHFFFAOYSA-N
XLogP3.11
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25479451
N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
3-(2,4-dioxoquinazolin-1-yl)-N-heptan-2-ylpropanamide
CID 51339285
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 26006226
propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate
CID 46662323
3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 24547729
N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 119615038
N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254953
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
2-[4-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 166196801

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide (CID 46662175) is 3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide is CC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1cccc2ccccc12.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide?
The InChIKey is RCOQJZPFVPZQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15(17-11-6-8-16-7-2-3-9-18(16)17)24-21(27)13-14-26-20-12-5-4-10-19(20)22(28)25-23(26)29/h2-12,15H,13-14H2,1H3,(H,24,27)(H,25,28,29).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide has a molecular weight of 387.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide is sourced from PubChem (CID 46662175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).