4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

C43H42ClN9O3 — CID 89307206

IUPAC4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc(Cn2cc3c(n2)c(Cl)nc2cccc(OC)c23)cc1.COc1cccc2nc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)c3[nH]ncc3c12
InChIInChI=1S/C24H26N6O.C19H16ClN3O2/c1-31-21-4-2-3-20-22(21)19-15-25-28-23(19)24(27-20)26-16-5-7-17(8-6-16)29-11-13-30(14-12-29)18-9-10-18;1-24-13-8-6-12(7-9-13)10-23-11-14-17-15(4-3-5-16(17)25-2)21-19(20)18(14)22-23/h2-8,15,18H,9-14H2,1H3,(H,25,28)(H,26,27);3-9,11H,10H2,1-2H3
InChIKeyMMVOWSSOJOEWSJ-UHFFFAOYSA-N
MW768.32 g/mol
LogP8.45
Rot. Bonds9

About 4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 89307206) has the molecular formula C43H42ClN9O3 and a molecular weight of 768.32 g/mol. Its IUPAC name is 4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound Name4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID89307206
Molecular FormulaC43H42ClN9O3
Molecular Weight768.32 g/mol
Exact Mass767.31
IUPAC Name4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc(Cn2cc3c(n2)c(Cl)nc2cccc(OC)c23)cc1.COc1cccc2nc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)c3[nH]ncc3c12
InChIInChI=1S/C24H26N6O.C19H16ClN3O2/c1-31-21-4-2-3-20-22(21)19-15-25-28-23(19)24(27-20)26-16-5-7-17(8-6-16)29-11-13-30(14-12-29)18-9-10-18;1-24-13-8-6-12(7-9-13)10-23-11-14-17-15(4-3-5-16(17)25-2)21-19(20)18(14)22-23/h2-8,15,18H,9-14H2,1H3,(H,25,28)(H,26,27);3-9,11H,10H2,1-2H3
InChIKeyMMVOWSSOJOEWSJ-UHFFFAOYSA-N
XLogP8.45
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500768.32
LogP ≤ 58.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of 4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 89307206) is 4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for 4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for 4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is COc1ccc(Cn2cc3c(n2)c(Cl)nc2cccc(OC)c23)cc1.COc1cccc2nc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)c3[nH]ncc3c12.
What is the InChIKey of 4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is MMVOWSSOJOEWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O.C19H16ClN3O2/c1-31-21-4-2-3-20-22(21)19-15-25-28-23(19)24(27-20)26-16-5-7-17(8-6-16)29-11-13-30(14-12-29)18-9-10-18;1-24-13-8-6-12(7-9-13)10-23-11-14-17-15(4-3-5-16(17)25-2)21-19(20)18(14)22-23/h2-8,15,18H,9-14H2,1H3,(H,25,28)(H,26,27);3-9,11H,10H2,1-2H3.
What are the key properties of 4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 768.32 g/mol, XLogP of 8.45, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-9-methoxy-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-9-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 89307206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).