7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine

C20H18FN5O — CID 166223104

IUPAC7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine
SMILESCOc1cc2c(NCc3cn(-c4ccccc4)nc3C)ncnc2cc1F
InChIInChI=1S/C20H18FN5O/c1-13-14(11-26(25-13)15-6-4-3-5-7-15)10-22-20-16-8-19(27-2)17(21)9-18(16)23-12-24-20/h3-9,11-12H,10H2,1-2H3,(H,22,23,24)
InChIKeyFPLYVZASSRUHOI-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.88
Rot. Bonds5

About 7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine

7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine (PubChem CID 166223104) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine
PubChem CID166223104
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine
SMILESCOc1cc2c(NCc3cn(-c4ccccc4)nc3C)ncnc2cc1F
InChIInChI=1S/C20H18FN5O/c1-13-14(11-26(25-13)15-6-4-3-5-7-15)10-22-20-16-8-19(27-2)17(21)9-18(16)23-12-24-20/h3-9,11-12H,10H2,1-2H3,(H,22,23,24)
InChIKeyFPLYVZASSRUHOI-UHFFFAOYSA-N
XLogP3.88
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine?
The IUPAC name of 7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine (CID 166223104) is 7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine is COc1cc2c(NCc3cn(-c4ccccc4)nc3C)ncnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine?
The InChIKey is FPLYVZASSRUHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-13-14(11-26(25-13)15-6-4-3-5-7-15)10-22-20-16-8-19(27-2)17(21)9-18(16)23-12-24-20/h3-9,11-12H,10H2,1-2H3,(H,22,23,24).
What are the key properties of 7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine?
7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine has a molecular weight of 363.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 166223104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).