3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one

C24H29N7O3 — CID 146327290

IUPAC3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one
SMILESCCCC(C)(O)[C@H](C)n1cccc(Cn2cc(-c3nc(N)nc4c(OC)cccc34)nn2)c1=O
InChIInChI=1S/C24H29N7O3/c1-5-11-24(3,33)15(2)31-12-7-8-16(22(31)32)13-30-14-18(28-29-30)20-17-9-6-10-19(34-4)21(17)27-23(25)26-20/h6-10,12,14-15,33H,5,11,13H2,1-4H3,(H2,25,26,27)/t15-,24?/m0/s1
InChIKeyPZBNCCMIPVPMLE-FZADBTJQSA-N
MW463.54 g/mol
LogP2.80
Rot. Bonds8

About 3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one

3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one (PubChem CID 146327290) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one.

Molecular Properties

Compound Name3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one
PubChem CID146327290
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one
SMILESCCCC(C)(O)[C@H](C)n1cccc(Cn2cc(-c3nc(N)nc4c(OC)cccc34)nn2)c1=O
InChIInChI=1S/C24H29N7O3/c1-5-11-24(3,33)15(2)31-12-7-8-16(22(31)32)13-30-14-18(28-29-30)20-17-9-6-10-19(34-4)21(17)27-23(25)26-20/h6-10,12,14-15,33H,5,11,13H2,1-4H3,(H2,25,26,27)/t15-,24?/m0/s1
InChIKeyPZBNCCMIPVPMLE-FZADBTJQSA-N
XLogP2.80
TPSA133.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-(1-methoxypropan-2-yl)pyridin-2-one
CID 146327501
3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[1-(1-hydroxycycloprop-2-en-1-yl)ethyl]pyridin-2-one
CID 146327496
3-[[4-(2-amino-6-fluoro-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-(3-hydroxy-3-methylbutan-2-yl)pyridin-2-one
CID 146327381
3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-ethylpyridin-2-one
CID 146327370
3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(3R)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]pyridin-2-one
CID 146327389
2-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridin-1-ium-1-carboxylic acid
CID 169085458
4-[1-[[1-hydroxy-6-(2-methylbutan-2-yl)pyridin-1-ium-2-yl]methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine
CID 159766753
(2S)-2-[6-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-oxidopyridin-1-ium-2-yl]-1,1,1-trifluoropropan-2-ol
CID 146423025
3-[[4-(2-amino-8-methoxyquinazolin-4-yl)pyrazol-1-yl]methyl]-1-propan-2-ylpyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(1S)-1-(1-hydroxycyclopropyl)ethyl]pyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-methylpyridin-2-one;3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(3S)-oxolan-3-yl]pyridin-2-one;3-[[4-(2-amino-8-methylquinazolin-4-yl)pyrazol-1-yl]methyl]-1-ethylpyridin-2-one;methane
CID 161355979
8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine
CID 135382318
2-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-6-(1,1,3-trifluoro-2-hydroxypropan-2-yl)pyridin-1-ium-1-carboxylate
CID 175404091
8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane
CID 142468444

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one?
The IUPAC name of 3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one (CID 146327290) is 3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one.
What is the SMILES notation for 3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one?
The canonical SMILES for 3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one is CCCC(C)(O)[C@H](C)n1cccc(Cn2cc(-c3nc(N)nc4c(OC)cccc34)nn2)c1=O.
What is the InChIKey of 3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one?
The InChIKey is PZBNCCMIPVPMLE-FZADBTJQSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-5-11-24(3,33)15(2)31-12-7-8-16(22(31)32)13-30-14-18(28-29-30)20-17-9-6-10-19(34-4)21(17)27-23(25)26-20/h6-10,12,14-15,33H,5,11,13H2,1-4H3,(H2,25,26,27)/t15-,24?/m0/s1.
What are the key properties of 3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one?
3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one has a molecular weight of 463.54 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one is sourced from PubChem (CID 146327290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).