N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

C20H18F2N4O2 — CID 71896337

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3cc(C)nn3c3ccccc23)cc1OC(F)F
InChIInChI=1S/C20H18F2N4O2/c1-12-9-18-24-19(14-5-3-4-6-15(14)26(18)25-12)23-11-13-7-8-16(27-2)17(10-13)28-20(21)22/h3-10,20H,11H2,1-2H3,(H,23,24)
InChIKeyKKXUBZORWFXBEV-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.41
Rot. Bonds6

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 71896337) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID71896337
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3cc(C)nn3c3ccccc23)cc1OC(F)F
InChIInChI=1S/C20H18F2N4O2/c1-12-9-18-24-19(14-5-3-4-6-15(14)26(18)25-12)23-11-13-7-8-16(27-2)17(10-13)28-20(21)22/h3-10,20H,11H2,1-2H3,(H,23,24)
InChIKeyKKXUBZORWFXBEV-UHFFFAOYSA-N
XLogP4.41
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8850832
N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8850825
2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 71891768
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 36832499
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 60503130
2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 47024964
2-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 55829240
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025083
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
CID 78851352
N-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 167967068
3-(difluoromethoxy)-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 43731316
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 42919862

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (CID 71896337) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is COc1ccc(CNc2nc3cc(C)nn3c3ccccc23)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is KKXUBZORWFXBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-12-9-18-24-19(14-5-3-4-6-15(14)26(18)25-12)23-11-13-7-8-16(27-2)17(10-13)28-20(21)22/h3-10,20H,11H2,1-2H3,(H,23,24).
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 384.39 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 71896337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).