2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide

C21H21N7O2 — CID 175970304

IUPAC2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide
SMILESCc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1CC(N)=O
InChIInChI=1S/C21H21N7O2/c1-12(2)27-11-24-26-20(27)16-5-4-6-19(25-16)28-10-23-17-7-13(3)14(9-18(22)29)8-15(17)21(28)30/h4-8,10-12H,9H2,1-3H3,(H2,22,29)
InChIKeyMPFUBYKMZYXPIY-UHFFFAOYSA-N
MW403.45 g/mol
LogP1.96
Rot. Bonds5

About 2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide

2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide (PubChem CID 175970304) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide.

Molecular Properties

Compound Name2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide
PubChem CID175970304
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide
SMILESCc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1CC(N)=O
InChIInChI=1S/C21H21N7O2/c1-12(2)27-11-24-26-20(27)16-5-4-6-19(25-16)28-10-23-17-7-13(3)14(9-18(22)29)8-15(17)21(28)30/h4-8,10-12H,9H2,1-3H3,(H2,22,29)
InChIKeyMPFUBYKMZYXPIY-UHFFFAOYSA-N
XLogP1.96
TPSA121.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[2-(sulfinoamino)ethyl]quinazoline
CID 156635532
2-methoxy-2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]ethanesulfonamide
CID 175495711
6-(2-methoxyethyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-g]quinazolin-4-one
CID 154991696
3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one
CID 154636541
6-methoxy-7-nitro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinolin-1-one
CID 167433838
5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide
CID 174238643
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide
CID 169227716
7-(4-cyclopropylimidazol-1-yl)-4-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinolin-3-one
CID 175372636
2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten
CID 158957862
7-(4-cyclopropylimidazol-1-yl)-2-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]isoquinolin-1-one
CID 162608829
methyl 4-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoate
CID 146559663
1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one
CID 155230944

Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide?
The IUPAC name of 2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide (CID 175970304) is 2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide.
What is the SMILES notation for 2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide?
The canonical SMILES for 2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide is Cc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1CC(N)=O.
What is the InChIKey of 2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide?
The InChIKey is MPFUBYKMZYXPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-12(2)27-11-24-26-20(27)16-5-4-6-19(25-16)28-10-23-17-7-13(3)14(9-18(22)29)8-15(17)21(28)30/h4-8,10-12H,9H2,1-3H3,(H2,22,29).
What are the key properties of 2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide?
2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide has a molecular weight of 403.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-6-yl]acetamide is sourced from PubChem (CID 175970304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).