N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide

C22H23N3O3 — CID 86925489

IUPACN-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C2CC2)c1
InChIInChI=1S/C22H23N3O3/c1-15-5-4-6-16(13-15)14-25(17-9-10-17)20(26)11-12-24-19-8-3-2-7-18(19)21(27)23-22(24)28/h2-8,13,17H,9-12,14H2,1H3,(H,23,27,28)
InChIKeyAGZAQEBPOCMFCZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.58
Rot. Bonds6

About N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide

N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 86925489) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID86925489
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C2CC2)c1
InChIInChI=1S/C22H23N3O3/c1-15-5-4-6-16(13-15)14-25(17-9-10-17)20(26)11-12-24-19-8-3-2-7-18(19)21(27)23-22(24)28/h2-8,13,17H,9-12,14H2,1H3,(H,23,27,28)
InChIKeyAGZAQEBPOCMFCZ-UHFFFAOYSA-N
XLogP2.58
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide (CID 86925489) is N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is AGZAQEBPOCMFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-5-4-6-16(13-15)14-25(17-9-10-17)20(26)11-12-24-19-8-3-2-7-18(19)21(27)23-22(24)28/h2-8,13,17H,9-12,14H2,1H3,(H,23,27,28).
What are the key properties of N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide?
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 377.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 86925489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).