2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide

C20H21N5O2 — CID 122444916

IUPAC2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(C4CCC4)n3)nc(N)nc12
InChIInChI=1S/C20H21N5O2/c1-27-16-10-4-8-14-17(16)24-20(21)25-18(14)19(26)22-11-13-7-3-9-15(23-13)12-5-2-6-12/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,22,26)(H2,21,24,25)
InChIKeyGJNGFJWIAZMTNC-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.81
Rot. Bonds5

About 2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide

2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide (PubChem CID 122444916) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide
PubChem CID122444916
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(C4CCC4)n3)nc(N)nc12
InChIInChI=1S/C20H21N5O2/c1-27-16-10-4-8-14-17(16)24-20(21)25-18(14)19(26)22-11-13-7-3-9-15(23-13)12-5-2-6-12/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,22,26)(H2,21,24,25)
InChIKeyGJNGFJWIAZMTNC-UHFFFAOYSA-N
XLogP2.81
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide (CID 122444916) is 2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide is COc1cccc2c(C(=O)NCc3cccc(C4CCC4)n3)nc(N)nc12.
What is the InChIKey of 2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide?
The InChIKey is GJNGFJWIAZMTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-27-16-10-4-8-14-17(16)24-20(21)25-18(14)19(26)22-11-13-7-3-9-15(23-13)12-5-2-6-12/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,22,26)(H2,21,24,25).
What are the key properties of 2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide?
2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide is sourced from PubChem (CID 122444916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).