3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide

C24H24N6O3 — CID 56523623

IUPAC3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)CCc3nc4ccccc4c(=O)n3C3CC3)n2)cc1
InChIInChI=1S/C24H24N6O3/c1-33-17-10-6-15(7-11-17)23-27-20(28-29-23)14-25-22(31)13-12-21-26-19-5-3-2-4-18(19)24(32)30(21)16-8-9-16/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,25,31)(H,27,28,29)
InChIKeyPJWLOOSKCAKSTQ-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.77
Rot. Bonds8

About 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide (PubChem CID 56523623) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
PubChem CID56523623
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)CCc3nc4ccccc4c(=O)n3C3CC3)n2)cc1
InChIInChI=1S/C24H24N6O3/c1-33-17-10-6-15(7-11-17)23-27-20(28-29-23)14-25-22(31)13-12-21-26-19-5-3-2-4-18(19)24(32)30(21)16-8-9-16/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,25,31)(H,27,28,29)
InChIKeyPJWLOOSKCAKSTQ-UHFFFAOYSA-N
XLogP2.77
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
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3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009414
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide
CID 55359984
methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580760
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55466640
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 56524362
[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 46809068
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanamide
CID 55489736
4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide
CID 56524435
7-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]heptanamide;hydrochloride
CID 119776049

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide (CID 56523623) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide is COc1ccc(-c2n[nH]c(CNC(=O)CCc3nc4ccccc4c(=O)n3C3CC3)n2)cc1.
What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
The InChIKey is PJWLOOSKCAKSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-33-17-10-6-15(7-11-17)23-27-20(28-29-23)14-25-22(31)13-12-21-26-19-5-3-2-4-18(19)24(32)30(21)16-8-9-16/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,25,31)(H,27,28,29).
What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide has a molecular weight of 444.50 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide is sourced from PubChem (CID 56523623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).