N-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine

C18H14F2N4O — CID 4054773

IUPACN-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine
SMILESCOc1ccc2cc3c(NCc4ccc(F)c(F)c4)n[nH]c3nc2c1
InChIInChI=1S/C18H14F2N4O/c1-25-12-4-3-11-7-13-17(23-24-18(13)22-16(11)8-12)21-9-10-2-5-14(19)15(20)6-10/h2-8H,9H2,1H3,(H2,21,22,23,24)
InChIKeyVYZBDIZTBZEFLG-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.01
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine

N-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine (PubChem CID 4054773) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine
PubChem CID4054773
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine
SMILESCOc1ccc2cc3c(NCc4ccc(F)c(F)c4)n[nH]c3nc2c1
InChIInChI=1S/C18H14F2N4O/c1-25-12-4-3-11-7-13-17(23-24-18(13)22-16(11)8-12)21-9-10-2-5-14(19)15(20)6-10/h2-8H,9H2,1H3,(H2,21,22,23,24)
InChIKeyVYZBDIZTBZEFLG-UHFFFAOYSA-N
XLogP4.01
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine (CID 4054773) is N-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine is COc1ccc2cc3c(NCc4ccc(F)c(F)c4)n[nH]c3nc2c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine?
The InChIKey is VYZBDIZTBZEFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c1-25-12-4-3-11-7-13-17(23-24-18(13)22-16(11)8-12)21-9-10-2-5-14(19)15(20)6-10/h2-8H,9H2,1H3,(H2,21,22,23,24).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine?
N-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine has a molecular weight of 340.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-amine is sourced from PubChem (CID 4054773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).