N-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine

C19H16F2N4O3 — CID 154250514

IUPACN-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine
SMILESCOc1ccc2ncc3[nH]nc(Nc4ccc(OC(F)F)c(OC)c4)c3c2c1
InChIInChI=1S/C19H16F2N4O3/c1-26-11-4-5-13-12(8-11)17-14(9-22-13)24-25-18(17)23-10-3-6-15(28-19(20)21)16(7-10)27-2/h3-9,19H,1-2H3,(H2,23,24,25)
InChIKeyPKURIKZBFUGTRO-UHFFFAOYSA-N
MW386.36 g/mol
LogP4.47
Rot. Bonds6

About N-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine

N-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine (PubChem CID 154250514) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine
PubChem CID154250514
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine
SMILESCOc1ccc2ncc3[nH]nc(Nc4ccc(OC(F)F)c(OC)c4)c3c2c1
InChIInChI=1S/C19H16F2N4O3/c1-26-11-4-5-13-12(8-11)17-14(9-22-13)24-25-18(17)23-10-3-6-15(28-19(20)21)16(7-10)27-2/h3-9,19H,1-2H3,(H2,23,24,25)
InChIKeyPKURIKZBFUGTRO-UHFFFAOYSA-N
XLogP4.47
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-fluoro-1H-indazol-3-amine
CID 162651967
2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
CID 71224603
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508924
8-methoxy-3H-pyrazolo[3,4-c]quinoline
CID 141354745
N-(3,4-dimethoxyphenyl)-7-methoxy-2-methylquinolin-4-amine
CID 110435623
N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514034
N-(4-fluorophenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139183
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine
CID 156575619
4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 7137766
2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70165713
4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 97032475
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine?
The IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine (CID 154250514) is N-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine?
The canonical SMILES for N-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine is COc1ccc2ncc3[nH]nc(Nc4ccc(OC(F)F)c(OC)c4)c3c2c1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine?
The InChIKey is PKURIKZBFUGTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c1-26-11-4-5-13-12(8-11)17-14(9-22-13)24-25-18(17)23-10-3-6-15(28-19(20)21)16(7-10)27-2/h3-9,19H,1-2H3,(H2,23,24,25).
What are the key properties of N-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine?
N-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine has a molecular weight of 386.36 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine is sourced from PubChem (CID 154250514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).