4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide

C16H15N5O — CID 53323641

IUPAC4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1
InChIInChI=1S/C16H15N5O/c1-9-6-7-11(8-18-9)21-16(22)13-5-3-4-12-14(13)19-10(2)20-15(12)17/h3-8H,1-2H3,(H,21,22)(H2,17,19,20)
InChIKeyLMTXZFZMGKTSOF-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.48
Rot. Bonds2

About 4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide

4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide (PubChem CID 53323641) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide
PubChem CID53323641
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1
InChIInChI=1S/C16H15N5O/c1-9-6-7-11(8-18-9)21-16(22)13-5-3-4-12-14(13)19-10(2)20-15(12)17/h3-8H,1-2H3,(H,21,22)(H2,17,19,20)
InChIKeyLMTXZFZMGKTSOF-UHFFFAOYSA-N
XLogP2.48
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide?
The IUPAC name of 4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide (CID 53323641) is 4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide.
What is the SMILES notation for 4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide?
The canonical SMILES for 4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide is Cc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1.
What is the InChIKey of 4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide?
The InChIKey is LMTXZFZMGKTSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-9-6-7-11(8-18-9)21-16(22)13-5-3-4-12-14(13)19-10(2)20-15(12)17/h3-8H,1-2H3,(H,21,22)(H2,17,19,20).
What are the key properties of 4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide?
4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(6-methyl-3-pyridinyl)quinazoline-8-carboxamide is sourced from PubChem (CID 53323641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).