[4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone

C28H23ClN4O2 — CID 134438324

IUPAC[4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1nn(-c2ccc(C(=O)N3CCOCC3)cc2)c2c1cnc1ccc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C28H23ClN4O2/c1-18-25-17-30-26-11-6-21(19-2-7-22(29)8-3-19)16-24(26)27(25)33(31-18)23-9-4-20(5-10-23)28(34)32-12-14-35-15-13-32/h2-11,16-17H,12-15H2,1H3
InChIKeyKADUDTUNBPSGMN-UHFFFAOYSA-N
MW482.97 g/mol
LogP5.67
Rot. Bonds3

About [4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone

[4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 134438324) has the molecular formula C28H23ClN4O2 and a molecular weight of 482.97 g/mol. Its IUPAC name is [4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID134438324
Molecular FormulaC28H23ClN4O2
Molecular Weight482.97 g/mol
Exact Mass482.15
IUPAC Name[4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1nn(-c2ccc(C(=O)N3CCOCC3)cc2)c2c1cnc1ccc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C28H23ClN4O2/c1-18-25-17-30-26-11-6-21(19-2-7-22(29)8-3-19)16-24(26)27(25)33(31-18)23-9-4-20(5-10-23)28(34)32-12-14-35-15-13-32/h2-11,16-17H,12-15H2,1H3
InChIKeyKADUDTUNBPSGMN-UHFFFAOYSA-N
XLogP5.67
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.97
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one
CID 46364370
[5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 82188848
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 21367728
[1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone
CID 19002371
2-(4-chlorophenyl)-5-(morpholine-4-carbonyl)isoindole-1,3-dione
CID 2100384
[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333971
(4-chlorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267909
[5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 5128071
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 146274494
[4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 75511167
[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 5167647
[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 71187412

Frequently Asked Questions

What is the IUPAC name of [4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone (CID 134438324) is [4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone is Cc1nn(-c2ccc(C(=O)N3CCOCC3)cc2)c2c1cnc1ccc(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of [4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is KADUDTUNBPSGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O2/c1-18-25-17-30-26-11-6-21(19-2-7-22(29)8-3-19)16-24(26)27(25)33(31-18)23-9-4-20(5-10-23)28(34)32-12-14-35-15-13-32/h2-11,16-17H,12-15H2,1H3.
What are the key properties of [4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone?
[4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 482.97 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134438324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).