7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine

C20H19N7O — CID 163291055

IUPAC7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
SMILESCc1c(-c2ccc3cnc(Nc4cnn(C)c4)nc3c2)cnc2c1NCCO2
InChIInChI=1S/C20H19N7O/c1-12-16(10-22-19-18(12)21-5-6-28-19)13-3-4-14-8-23-20(26-17(14)7-13)25-15-9-24-27(2)11-15/h3-4,7-11,21H,5-6H2,1-2H3,(H,23,25,26)
InChIKeyKHYRHPHKPHPXSM-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.28
Rot. Bonds3

About 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine

7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine (PubChem CID 163291055) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
PubChem CID163291055
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
SMILESCc1c(-c2ccc3cnc(Nc4cnn(C)c4)nc3c2)cnc2c1NCCO2
InChIInChI=1S/C20H19N7O/c1-12-16(10-22-19-18(12)21-5-6-28-19)13-3-4-14-8-23-20(26-17(14)7-13)25-15-9-24-27(2)11-15/h3-4,7-11,21H,5-6H2,1-2H3,(H,23,25,26)
InChIKeyKHYRHPHKPHPXSM-UHFFFAOYSA-N
XLogP3.28
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine?
The IUPAC name of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine (CID 163291055) is 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine.
What is the SMILES notation for 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine?
The canonical SMILES for 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine is Cc1c(-c2ccc3cnc(Nc4cnn(C)c4)nc3c2)cnc2c1NCCO2.
What is the InChIKey of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine?
The InChIKey is KHYRHPHKPHPXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-12-16(10-22-19-18(12)21-5-6-28-19)13-3-4-14-8-23-20(26-17(14)7-13)25-15-9-24-27(2)11-15/h3-4,7-11,21H,5-6H2,1-2H3,(H,23,25,26).
What are the key properties of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine?
7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine has a molecular weight of 373.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(1-methylpyrazol-4-yl)quinazolin-2-amine is sourced from PubChem (CID 163291055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).