N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine

C22H15F2N5O — CID 20626440

IUPACN-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)c2ccccc2n1
InChIInChI=1S/C22H15F2N5O/c1-30-18-9-5-3-7-14(18)21-25-17-8-4-2-6-13(17)20(26-21)27-22-15-10-12(23)11-16(24)19(15)28-29-22/h2-11H,1H3,(H2,25,26,27,28,29)
InChIKeyIEPKQLKOYJBHTE-UHFFFAOYSA-N
MW403.39 g/mol
LogP5.20
Rot. Bonds4

About N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine

N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine (PubChem CID 20626440) has the molecular formula C22H15F2N5O and a molecular weight of 403.39 g/mol. Its IUPAC name is N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine
PubChem CID20626440
Molecular FormulaC22H15F2N5O
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC NameN-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)c2ccccc2n1
InChIInChI=1S/C22H15F2N5O/c1-30-18-9-5-3-7-14(18)21-25-17-8-4-2-6-13(17)20(26-21)27-22-15-10-12(23)11-16(24)19(15)28-29-22/h2-11H,1H3,(H2,25,26,27,28,29)
InChIKeyIEPKQLKOYJBHTE-UHFFFAOYSA-N
XLogP5.20
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.39
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro-3H-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-2-amine
CID 75277381
7-methoxy-1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667631
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine
CID 3566059
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyquinazolin-4-amine
CID 9901505
2-(4-methoxyphenylthio)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 9925230
2-(2-methoxyphenylthio)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10292186
3-(5-(3-amino-3-methylbutyl)-2-methoxyphenyl)-N-(2,4-difluorophenyl)-1H-pyrazolo[3,4-b]pyridin-6-amine
CID 11510421
3-(5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)-N-(2,4-difluorophenyl)-1H-pyrazolo[3,4-b]pyridin-6-amine
CID 11568224
N-(2,4-difluorophenyl)-3-(2-methoxy-5-((tetrahydro-2H-pyran-4-ylamino)methyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-6-amine
CID 11655657
5-Butyl-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 17863152
6-[2-Amino-6-(methyloxy)-4-pyrimidinyl]-1H-indazol-3-amine
CID 46216494
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 2141078

Frequently Asked Questions

What is the IUPAC name of N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine (CID 20626440) is N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine is COc1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)c2ccccc2n1.
What is the InChIKey of N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine?
The InChIKey is IEPKQLKOYJBHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O/c1-30-18-9-5-3-7-14(18)21-25-17-8-4-2-6-13(17)20(26-21)27-22-15-10-12(23)11-16(24)19(15)28-29-22/h2-11H,1H3,(H2,25,26,27,28,29).
What are the key properties of N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine?
N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine has a molecular weight of 403.39 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 20626440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).