N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide

C21H21N7O2 — CID 137281126

IUPACN-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C21H21N7O2/c1-14(2)27(12-18-22-17-11-7-6-10-16(17)21(30)23-18)19(29)13-28-25-20(24-26-28)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,23,30)
InChIKeyBISAFXHYLXGPFZ-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.01
Rot. Bonds6

About N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide (PubChem CID 137281126) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide
PubChem CID137281126
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C21H21N7O2/c1-14(2)27(12-18-22-17-11-7-6-10-16(17)21(30)23-18)19(29)13-28-25-20(24-26-28)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,23,30)
InChIKeyBISAFXHYLXGPFZ-UHFFFAOYSA-N
XLogP2.01
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137287040
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide
CID 135962216
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylfuran-3-carboxamide
CID 137316111
3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962225
2-(4-methoxyphenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137306021
4-tert-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962244
4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 137287776
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 137296684
3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135722195
3-(4-chlorophenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962235
(1S)-2,2-dichloro-1-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 136712327

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide (CID 137281126) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide?
The InChIKey is BISAFXHYLXGPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-14(2)27(12-18-22-17-11-7-6-10-16(17)21(30)23-18)19(29)13-28-25-20(24-26-28)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,23,30).
What are the key properties of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide?
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide has a molecular weight of 403.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 137281126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).