4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide

C17H17N5O2 — CID 51003485

IUPAC4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)cc3c(N)nc(C)nc23)cn1
InChIInChI=1S/C17H17N5O2/c1-9-6-12-15(20-10(2)21-16(12)18)13(7-9)17(23)22-11-4-5-14(24-3)19-8-11/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)
InChIKeySCPDXZXMMJTDRB-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.48
Rot. Bonds3

About 4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide

4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide (PubChem CID 51003485) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide
PubChem CID51003485
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)cc3c(N)nc(C)nc23)cn1
InChIInChI=1S/C17H17N5O2/c1-9-6-12-15(20-10(2)21-16(12)18)13(7-9)17(23)22-11-4-5-14(24-3)19-8-11/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)
InChIKeySCPDXZXMMJTDRB-UHFFFAOYSA-N
XLogP2.48
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide?
The IUPAC name of 4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide (CID 51003485) is 4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide?
The canonical SMILES for 4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide is COc1ccc(NC(=O)c2cc(C)cc3c(N)nc(C)nc23)cn1.
What is the InChIKey of 4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide?
The InChIKey is SCPDXZXMMJTDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-9-6-12-15(20-10(2)21-16(12)18)13(7-9)17(23)22-11-4-5-14(24-3)19-8-11/h4-8H,1-3H3,(H,22,23)(H2,18,20,21).
What are the key properties of 4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide?
4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-methoxy-3-pyridinyl)-2,6-dimethylquinazoline-8-carboxamide is sourced from PubChem (CID 51003485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).