4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine — IUPAC name, SMILES, InChIKey & properties

Name: 4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine

4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine (PubChem CID 161351124) has the molecular formula C85H97ClN18O5 and a molecular weight of 1486.28 g/mol. Its IUPAC name is 4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine.

Molecular Properties

Compound Name	4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine
PubChem CID	161351124
Molecular Formula	C85H97ClN18O5
Molecular Weight	1486.28 g/mol
Exact Mass	1484.76
IUPAC Name	4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine
SMILES	CCO.CN1CCNCC1.COc1ccc(Cn2cc3c(n2)c(=O)[nH]c2ccc(C)cc23)cc1.COc1ccc(Cn2cc3c(n2)c(Cl)nc2ccc(C)cc23)cc1.COc1ccc(Cn2cc3c(n2)c(N2CCN(C)CC2)nc2ccc(C)cc23)cc1.Cc1ccc2nc(N3CCN(C)CC3)c3[nH]ncc3c2c1
InChI	InChI=1S/C24H27N5O.C19H16ClN3O.C19H17N3O2.C16H19N5.C5H12N2.C2H6O/c1-17-4-9-22-20(14-17)21-16-29(15-18-5-7-19(30-3)8-6-18)26-23(21)24(25-22)28-12-10-27(2)11-13-28;1-12-3-8-17-15(9-12)16-11-23(22-18(16)19(20)21-17)10-13-4-6-14(24-2)7-5-13;1-12-3-8-17-15(9-12)16-11-22(21-18(16)19(23)20-17)10-13-4-6-14(24-2)7-5-13;1-11-3-4-14-12(9-11)13-10-17-19-15(13)16(18-14)21-7-5-20(2)6-8-21;1-7-4-2-6-3-5-7;1-2-3/h4-9,14,16H,10-13,15H2,1-3H3;3-9,11H,10H2,1-2H3;3-9,11H,10H2,1-2H3,(H,20,23);3-4,9-10H,5-8H2,1-2H3,(H,17,19);6H,2-5H2,1H3;3H,2H2,1H3
InChIKey	VNYAIIXFRSPWPW-UHFFFAOYSA-N
XLogP	13.24
TPSA	229.82 Å²
H-Bond Donors	4
H-Bond Acceptors	21
Rotatable Bonds	11
Heavy Atoms	109
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1486.28
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine?

The IUPAC name of 4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine (CID 161351124) is 4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine.

What is the SMILES notation for 4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine?

The canonical SMILES for 4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine is CCO.CN1CCNCC1.COc1ccc(Cn2cc3c(n2)c(=O)[nH]c2ccc(C)cc23)cc1.COc1ccc(Cn2cc3c(n2)c(Cl)nc2ccc(C)cc23)cc1.COc1ccc(Cn2cc3c(n2)c(N2CCN(C)CC2)nc2ccc(C)cc23)cc1.Cc1ccc2nc(N3CCN(C)CC3)c3[nH]ncc3c2c1.

What is the InChIKey of 4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine?

The InChIKey is VNYAIIXFRSPWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O.C19H16ClN3O.C19H17N3O2.C16H19N5.C5H12N2.C2H6O/c1-17-4-9-22-20(14-17)21-16-29(15-18-5-7-19(30-3)8-6-18)26-23(21)24(25-22)28-12-10-27(2)11-13-28;1-12-3-8-17-15(9-12)16-11-23(22-18(16)19(20)21-17)10-13-4-6-14(24-2)7-5-13;1-12-3-8-17-15(9-12)16-11-22(21-18(16)19(23)20-17)10-13-4-6-14(24-2)7-5-13;1-11-3-4-14-12(9-11)13-10-17-19-15(13)16(18-14)21-7-5-20(2)6-8-21;1-7-4-2-6-3-5-7;1-2-3/h4-9,14,16H,10-13,15H2,1-3H3;3-9,11H,10H2,1-2H3;3-9,11H,10H2,1-2H3,(H,20,23);3-4,9-10H,5-8H2,1-2H3,(H,17,19);6H,2-5H2,1H3;3H,2H2,1H3.

What are the key properties of 4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine?

Where does this data come from?

All data for 4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine is sourced from PubChem (CID 161351124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).