4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide

C33H38ClN5O5 — CID 159792108

IUPAC4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C33H38ClN5O5/c1-33(2,3)31-17-22(39(37-31)10-9-38-11-13-43-14-12-38)16-23(40)15-21-5-6-24(18-27(21)34)44-29-7-8-36-28-20-30(42-4)26(32(35)41)19-25(28)29/h5-8,17-20H,9-16H2,1-4H3,(H2,35,41)
InChIKeyNIRQKCKTZQHCRQ-UHFFFAOYSA-N
MW620.15 g/mol
LogP4.97
Rot. Bonds11

About 4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide

4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 159792108) has the molecular formula C33H38ClN5O5 and a molecular weight of 620.15 g/mol. Its IUPAC name is 4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID159792108
Molecular FormulaC33H38ClN5O5
Molecular Weight620.15 g/mol
Exact Mass619.26
IUPAC Name4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C33H38ClN5O5/c1-33(2,3)31-17-22(39(37-31)10-9-38-11-13-43-14-12-38)16-23(40)15-21-5-6-24(18-27(21)34)44-29-7-8-36-28-20-30(42-4)26(32(35)41)19-25(28)29/h5-8,17-20H,9-16H2,1-4H3,(H2,35,41)
InChIKeyNIRQKCKTZQHCRQ-UHFFFAOYSA-N
XLogP4.97
TPSA121.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.15
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

US20240018122, Example 171
CID 163962029
4-(4-chloro-2-fluorophenoxy)-7-methoxy-N-(3-morpholinopropyl)quinoline-6-carboxamide
CID 9804918
1-N'-[5-chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 155674568
4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 157246873
4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-phenylmethoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde
CID 157371862
1-[1-[2-[5-Chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
CID 160135465
4-[2-Fluoro-4-[3-(1-methylpyrazol-4-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 160451030
Methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methylpyridazin-4-yl]amino]-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinoline-6-carboxylate
CID 168072358
6-chloro-3-[(1R)-1-[2-[2-(difluoromethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
CID 171548964
6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
CID 171549100
6-chloro-3-[(1R)-1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
CID 171549255
6-Chloro-3-[1-[2-(6-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
CID 171549272

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide (CID 159792108) is 4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4CCN4CCOCC4)c(Cl)c3)c2cc1C(N)=O.
What is the InChIKey of 4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is NIRQKCKTZQHCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClN5O5/c1-33(2,3)31-17-22(39(37-31)10-9-38-11-13-43-14-12-38)16-23(40)15-21-5-6-24(18-27(21)34)44-29-7-8-36-28-20-30(42-4)26(32(35)41)19-25(28)29/h5-8,17-20H,9-16H2,1-4H3,(H2,35,41).
What are the key properties of 4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 620.15 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[3-tert-butyl-1-(2-morpholin-4-ylethyl)pyrazol-5-yl]-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 159792108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).