2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide

C17H16FN5O2 — CID 122445004

IUPAC2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCOc1ccc(C)c(CNC(=O)c2nc(N)nc3c(F)cccc23)n1
InChIInChI=1S/C17H16FN5O2/c1-9-6-7-13(25-2)21-12(9)8-20-16(24)15-10-4-3-5-11(18)14(10)22-17(19)23-15/h3-7H,8H2,1-2H3,(H,20,24)(H2,19,22,23)
InChIKeyRMFOGOQJELCEON-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.99
Rot. Bonds4

About 2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide

2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide (PubChem CID 122445004) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
PubChem CID122445004
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCOc1ccc(C)c(CNC(=O)c2nc(N)nc3c(F)cccc23)n1
InChIInChI=1S/C17H16FN5O2/c1-9-6-7-13(25-2)21-12(9)8-20-16(24)15-10-4-3-5-11(18)14(10)22-17(19)23-15/h3-7H,8H2,1-2H3,(H,20,24)(H2,19,22,23)
InChIKeyRMFOGOQJELCEON-UHFFFAOYSA-N
XLogP1.99
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide with MolForge

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Related Compounds

2-amino-N-[[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444984
2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
CID 122485352
2-amino-N-[dideuterio-[6-[4-(2-methoxyethoxy)phenoxy]-2-pyridinyl]methyl]-8-fluoroquinazoline-4-carboxamide
CID 122444957
2-amino-N-[[6-[(4-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444944
2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444945
2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid
CID 105476978
2-amino-N-[[6-(cyclopentyloxymethyl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444911
1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
2-amino-N-[2-(5-chloro-2-methoxyphenyl)ethyl]quinazoline-4-carboxamide
CID 68506489
1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one
CID 157295338
2,6-dimethoxy-N-(naphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 20969022
8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
CID 110489274

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide (CID 122445004) is 2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide is COc1ccc(C)c(CNC(=O)c2nc(N)nc3c(F)cccc23)n1.
What is the InChIKey of 2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The InChIKey is RMFOGOQJELCEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-9-6-7-13(25-2)21-12(9)8-20-16(24)15-10-4-3-5-11(18)14(10)22-17(19)23-15/h3-7H,8H2,1-2H3,(H,20,24)(H2,19,22,23).
What are the key properties of 2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide?
2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122445004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).