2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide

C21H18N6O2 — CID 122444910

IUPAC2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(-c4ccccn4)n3)nc(N)nc12
InChIInChI=1S/C21H18N6O2/c1-29-17-10-5-7-14-18(17)26-21(22)27-19(14)20(28)24-12-13-6-4-9-16(25-13)15-8-2-3-11-23-15/h2-11H,12H2,1H3,(H,24,28)(H2,22,26,27)
InChIKeyHQAKYJIASAEKHF-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.61
Rot. Bonds5

About 2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide

2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide (PubChem CID 122444910) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide
PubChem CID122444910
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(-c4ccccn4)n3)nc(N)nc12
InChIInChI=1S/C21H18N6O2/c1-29-17-10-5-7-14-18(17)26-21(22)27-19(14)20(28)24-12-13-6-4-9-16(25-13)15-8-2-3-11-23-15/h2-11H,12H2,1H3,(H,24,28)(H2,22,26,27)
InChIKeyHQAKYJIASAEKHF-UHFFFAOYSA-N
XLogP2.61
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide (CID 122444910) is 2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide is COc1cccc2c(C(=O)NCc3cccc(-c4ccccn4)n3)nc(N)nc12.
What is the InChIKey of 2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The InChIKey is HQAKYJIASAEKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-29-17-10-5-7-14-18(17)26-21(22)27-19(14)20(28)24-12-13-6-4-9-16(25-13)15-8-2-3-11-23-15/h2-11H,12H2,1H3,(H,24,28)(H2,22,26,27).
What are the key properties of 2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methoxy-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122444910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).