N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide

C22H22N6O2 — CID 135956689

IUPACN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C22H22N6O2/c1-15(2)28(12-20-25-19-6-4-3-5-18(19)21(29)26-20)22(30)17-9-7-16(8-10-17)11-27-14-23-13-24-27/h3-10,13-15H,11-12H2,1-2H3,(H,25,26,29)
InChIKeySVODAPATUYBVFD-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.61
Rot. Bonds6

About N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 135956689) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID135956689
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C22H22N6O2/c1-15(2)28(12-20-25-19-6-4-3-5-18(19)21(29)26-20)22(30)17-9-7-16(8-10-17)11-27-14-23-13-24-27/h3-10,13-15H,11-12H2,1-2H3,(H,25,26,29)
InChIKeySVODAPATUYBVFD-UHFFFAOYSA-N
XLogP2.61
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(pyrazol-1-ylmethyl)benzamide
CID 137309163
4-(methoxymethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 137294556
4-tert-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962244
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylfuran-3-carboxamide
CID 137316111
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 135667533
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 137296684
4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 137287776
3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135722195
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-propan-2-yloxypyridine-3-carboxamide
CID 135973705
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 137305204
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 135878562
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 135956689) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide is CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is SVODAPATUYBVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-15(2)28(12-20-25-19-6-4-3-5-18(19)21(29)26-20)22(30)17-9-7-16(8-10-17)11-27-14-23-13-24-27/h3-10,13-15H,11-12H2,1-2H3,(H,25,26,29).
What are the key properties of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 402.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 135956689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).