3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide

C23H24ClN3O3 — CID 71576802

IUPAC3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc(=O)[nH]c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3Cl)ccc12
InChIInChI=1S/C23H24ClN3O3/c1-15-12-22(28)26-21-14-16(2-4-18(15)21)19-5-3-17(13-20(19)24)23(29)25-6-7-27-8-10-30-11-9-27/h2-5,12-14H,6-11H2,1H3,(H,25,29)(H,26,28)
InChIKeyQJNFNCVAIRRBKM-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.22
Rot. Bonds5

About 3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide

3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 71576802) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID71576802
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc(=O)[nH]c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3Cl)ccc12
InChIInChI=1S/C23H24ClN3O3/c1-15-12-22(28)26-21-14-16(2-4-18(15)21)19-5-3-17(13-20(19)24)23(29)25-6-7-27-8-10-30-11-9-27/h2-5,12-14H,6-11H2,1H3,(H,25,29)(H,26,28)
InChIKeyQJNFNCVAIRRBKM-UHFFFAOYSA-N
XLogP3.22
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide (CID 71576802) is 3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide is Cc1cc(=O)[nH]c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3Cl)ccc12.
What is the InChIKey of 3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is QJNFNCVAIRRBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-15-12-22(28)26-21-14-16(2-4-18(15)21)19-5-3-17(13-20(19)24)23(29)25-6-7-27-8-10-30-11-9-27/h2-5,12-14H,6-11H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide?
3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 425.92 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 71576802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).