2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide

C18H19N5O2 — CID 122485301

IUPAC2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NC(C)(C)c3ccccn3)nc(N)nc12
InChIInChI=1S/C18H19N5O2/c1-18(2,13-9-4-5-10-20-13)23-16(24)15-11-7-6-8-12(25-3)14(11)21-17(19)22-15/h4-10H,1-3H3,(H,23,24)(H2,19,21,22)
InChIKeyWEPPFLKPTRAQMR-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.28
Rot. Bonds4

About 2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide

2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide (PubChem CID 122485301) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide
PubChem CID122485301
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NC(C)(C)c3ccccn3)nc(N)nc12
InChIInChI=1S/C18H19N5O2/c1-18(2,13-9-4-5-10-20-13)23-16(24)15-11-7-6-8-12(25-3)14(11)21-17(19)22-15/h4-10H,1-3H3,(H,23,24)(H2,19,21,22)
InChIKeyWEPPFLKPTRAQMR-UHFFFAOYSA-N
XLogP2.28
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide (CID 122485301) is 2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide is COc1cccc2c(C(=O)NC(C)(C)c3ccccn3)nc(N)nc12.
What is the InChIKey of 2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide?
The InChIKey is WEPPFLKPTRAQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-18(2,13-9-4-5-10-20-13)23-16(24)15-11-7-6-8-12(25-3)14(11)21-17(19)22-15/h4-10H,1-3H3,(H,23,24)(H2,19,21,22).
What are the key properties of 2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide?
2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methoxy-N-(2-pyridin-2-ylpropan-2-yl)quinazoline-4-carboxamide is sourced from PubChem (CID 122485301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).