4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline

C20H22N4O — CID 136917358

IUPAC4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline
SMILESCCCc1c2c(nn1-c1ccc(N)cc1)-c1cccc(OC)c1NC2
InChIInChI=1S/C20H22N4O/c1-3-5-17-16-12-22-20-15(6-4-7-18(20)25-2)19(16)23-24(17)14-10-8-13(21)9-11-14/h4,6-11,22H,3,5,12,21H2,1-2H3
InChIKeyXBHJHUQZYXQSLE-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.01
Rot. Bonds4

About 4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline

4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline (PubChem CID 136917358) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline.

Molecular Properties

Compound Name4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline
PubChem CID136917358
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline
SMILESCCCc1c2c(nn1-c1ccc(N)cc1)-c1cccc(OC)c1NC2
InChIInChI=1S/C20H22N4O/c1-3-5-17-16-12-22-20-15(6-4-7-18(20)25-2)19(16)23-24(17)14-10-8-13(21)9-11-14/h4,6-11,22H,3,5,12,21H2,1-2H3
InChIKeyXBHJHUQZYXQSLE-UHFFFAOYSA-N
XLogP4.01
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

SK&F 96079
CID 196776
methyl 4-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-6-yl ether
CID 3307854
2-(6-methoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-1-yl)phenyl methyl ether
CID 3758900
1-(4-Methoxy-2-methylphenyl)-4-methyl-6-methoxy-2,3-dihydropyrrolo[3,2-c]quinoline
CID 44366637
N,N-diethyl-2-(6-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)ethanamine
CID 136076429
4-(6-methoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-1-yl)phenyl methyl ether
CID 3600945
8-methoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine
CID 44537224
4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N-methylaniline
CID 70692175
N-Benzylidene-N'-(8-methoxy-2-methyl-quinolin-4-yl)-hydrazine
CID 9594985
6-Methoxy-4,5-dimethyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-5-ium iodide
CID 44366539
[4-[5-(cyclohexylmethyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-fluorophenyl]urea
CID 139296315
[4-[5-butan-2-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-fluorophenyl]urea
CID 139296318

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline?
The IUPAC name of 4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline (CID 136917358) is 4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline.
What is the SMILES notation for 4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline?
The canonical SMILES for 4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline is CCCc1c2c(nn1-c1ccc(N)cc1)-c1cccc(OC)c1NC2.
What is the InChIKey of 4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline?
The InChIKey is XBHJHUQZYXQSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-5-17-16-12-22-20-15(6-4-7-18(20)25-2)19(16)23-24(17)14-10-8-13(21)9-11-14/h4,6-11,22H,3,5,12,21H2,1-2H3.
What are the key properties of 4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline?
4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline has a molecular weight of 334.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-propyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)aniline is sourced from PubChem (CID 136917358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).