2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C20H18FN5O — CID 46892374

IUPAC2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCOC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2ccccc2n1
InChIInChI=1S/C20H18FN5O/c1-12-11-17(26-25-12)23-19-15-5-3-4-6-16(15)22-20(24-19)18(27-2)13-7-9-14(21)10-8-13/h3-11,18H,1-2H3,(H2,22,23,24,25,26)
InChIKeyAXVRJAHNPYGDTN-UHFFFAOYSA-N
MW363.40 g/mol
LogP4.28
Rot. Bonds5

About 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 46892374) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID46892374
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCOC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2ccccc2n1
InChIInChI=1S/C20H18FN5O/c1-12-11-17(26-25-12)23-19-15-5-3-4-6-16(15)22-20(24-19)18(27-2)13-7-9-14(21)10-8-13/h3-11,18H,1-2H3,(H2,22,23,24,25,26)
InChIKeyAXVRJAHNPYGDTN-UHFFFAOYSA-N
XLogP4.28
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine with MolForge

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Related Compounds

(S)-(4-Fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 56833308
Ac-430
CID 46892373
(R)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 56833309
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyquinazolin-4-amine
CID 9901505
N-(6-fluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028015
N-(5-fluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028016
N-(4-fluoro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028017
2-benzyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 145980364
7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 145982088
7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 145986550
8-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 145987193
2-benzyl-8-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 145987787

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 46892374) is 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is COC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2ccccc2n1.
What is the InChIKey of 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is AXVRJAHNPYGDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-12-11-17(26-25-12)23-19-15-5-3-4-6-16(15)22-20(24-19)18(27-2)13-7-9-14(21)10-8-13/h3-11,18H,1-2H3,(H2,22,23,24,25,26).
What are the key properties of 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 363.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 46892374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).