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

C16H14FN5O2 — CID 122444955

IUPAC2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(F)n3)nc(N)nc12
InChIInChI=1S/C16H14FN5O2/c1-24-11-6-3-5-10-13(11)21-16(18)22-14(10)15(23)19-8-9-4-2-7-12(17)20-9/h2-7H,8H2,1H3,(H,19,23)(H2,18,21,22)
InChIKeyDRQYVTXYDZCVNL-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.68
Rot. Bonds4

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

2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide (PubChem CID 122444955) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide
PubChem CID122444955
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(F)n3)nc(N)nc12
InChIInChI=1S/C16H14FN5O2/c1-24-11-6-3-5-10-13(11)21-16(18)22-14(10)15(23)19-8-9-4-2-7-12(17)20-9/h2-7H,8H2,1H3,(H,19,23)(H2,18,21,22)
InChIKeyDRQYVTXYDZCVNL-UHFFFAOYSA-N
XLogP1.68
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 91864603
2-amino-N-[[6-(cyclopentyloxymethyl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444911
2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444916
2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444920
2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444921
2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444945
2-amino-8-methoxy-N-[(6-propan-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444963
2-amino-N-(quinolin-8-ylmethyl)-8-(trifluoromethoxy)quinazoline-4-carboxamide
CID 122444974
2-amino-N-[[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444984
2-amino-8-methoxy-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444996
2-amino-8-methoxy-N-[[6-(trifluoromethyl)pyridin-2-yl]methyl]quinazoline-4-carboxamide
CID 122485352
2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
CID 134132656

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide (CID 122444955) is 2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide is COc1cccc2c(C(=O)NCc3cccc(F)n3)nc(N)nc12.
What is the InChIKey of 2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide?
The InChIKey is DRQYVTXYDZCVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-24-11-6-3-5-10-13(11)21-16(18)22-14(10)15(23)19-8-9-4-2-7-12(17)20-9/h2-7H,8H2,1H3,(H,19,23)(H2,18,21,22).
What are the key properties of 2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide?
2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide is sourced from PubChem (CID 122444955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).