N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide

C18H22N6O2 — CID 70721495

IUPACN-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)n1cnnc1CN(C)C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H22N6O2/c1-13(2)24-12-20-21-16(24)10-22(3)17(25)8-9-23-11-19-15-7-5-4-6-14(15)18(23)26/h4-7,11-13H,8-10H2,1-3H3
InChIKeyUFENFTBFXHLPSR-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.62
Rot. Bonds6

About N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide

N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 70721495) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID70721495
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)n1cnnc1CN(C)C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H22N6O2/c1-13(2)24-12-20-21-16(24)10-22(3)17(25)8-9-23-11-19-15-7-5-4-6-14(15)18(23)26/h4-7,11-13H,8-10H2,1-3H3
InChIKeyUFENFTBFXHLPSR-UHFFFAOYSA-N
XLogP1.62
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide (CID 70721495) is N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide is CC(C)n1cnnc1CN(C)C(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is UFENFTBFXHLPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-13(2)24-12-20-21-16(24)10-22(3)17(25)8-9-23-11-19-15-7-5-4-6-14(15)18(23)26/h4-7,11-13H,8-10H2,1-3H3.
What are the key properties of N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 354.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 70721495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).