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

C17H14F3N5O2 — CID 122485352

IUPAC2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(C(F)(F)F)n3)nc(N)nc12
InChIInChI=1S/C17H14F3N5O2/c1-27-11-6-3-5-10-13(11)24-16(21)25-14(10)15(26)22-8-9-4-2-7-12(23-9)17(18,19)20/h2-7H,8H2,1H3,(H,22,26)(H2,21,24,25)
InChIKeySTWRXRRGWBYXJK-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.56
Rot. Bonds4

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

2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide (PubChem CID 122485352) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
PubChem CID122485352
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Name2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(C(F)(F)F)n3)nc(N)nc12
InChIInChI=1S/C17H14F3N5O2/c1-27-11-6-3-5-10-13(11)24-16(21)25-14(10)15(26)22-8-9-4-2-7-12(23-9)17(18,19)20/h2-7H,8H2,1H3,(H,22,26)(H2,21,24,25)
InChIKeySTWRXRRGWBYXJK-UHFFFAOYSA-N
XLogP2.56
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444984
2-amino-N-[[6-[(4-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444944
2-amino-N-[[6-(cyclopentyloxymethyl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444911
2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444945
1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444933
5-(aminomethyl)-N-[(2-aminopyrimidin-5-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 154546463
2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122445004
2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide
CID 123230614
2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide
CID 122485233
N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 68701165
1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one
CID 153060520

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide (CID 122485352) is 2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide is COc1cccc2c(C(=O)NCc3cccc(C(F)(F)F)n3)nc(N)nc12.
What is the InChIKey of 2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The InChIKey is STWRXRRGWBYXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-27-11-6-3-5-10-13(11)24-16(21)25-14(10)15(26)22-8-9-4-2-7-12(23-9)17(18,19)20/h2-7H,8H2,1H3,(H,22,26)(H2,21,24,25).
What are the key properties of 2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122485352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).