7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine

C22H23N5O3 — CID 70977016

IUPAC7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1cc2nc(Nc3ccc(N4CCOCC4)cc3)c3[nH]ncc3c2cc1OC
InChIInChI=1S/C22H23N5O3/c1-28-19-11-16-17-13-23-26-21(17)22(25-18(16)12-20(19)29-2)24-14-3-5-15(6-4-14)27-7-9-30-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyAACPZIRSUYSTED-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.71
Rot. Bonds5

About 7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine

7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 70977016) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound Name7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID70977016
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1cc2nc(Nc3ccc(N4CCOCC4)cc3)c3[nH]ncc3c2cc1OC
InChIInChI=1S/C22H23N5O3/c1-28-19-11-16-17-13-23-26-21(17)22(25-18(16)12-20(19)29-2)24-14-3-5-15(6-4-14)27-7-9-30-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyAACPZIRSUYSTED-UHFFFAOYSA-N
XLogP3.71
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
N-(4-morpholin-4-ylphenyl)-7H-pyrazolo[5,4-c][1,5]naphthyridin-6-amine
CID 71139410
5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138008
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139473
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117090622
6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 117084289
2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117079834
N-(4-morpholin-4-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104809
2-methyl-4-[7-(4-morpholin-4-ylanilino)-1H-pyrazolo[4,5-d]pyrimidin-5-yl]benzoic acid
CID 118413153
N-(4-fluorophenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139183
4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile
CID 71139125

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of 7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 70977016) is 7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for 7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for 7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine is COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)c3[nH]ncc3c2cc1OC.
What is the InChIKey of 7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is AACPZIRSUYSTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-28-19-11-16-17-13-23-26-21(17)22(25-18(16)12-20(19)29-2)24-14-3-5-15(6-4-14)27-7-9-30-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine?
7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 405.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 70977016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).