CID 53360581

C21H22ClN2O2 — CID 53360581

IUPAC—
SMILESCC(CNc1ccnc2cc(Cl)ccc12)OC(=O)CCC[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C21H22ClN2O2/c1-15(26-21(25)8-4-7-16-5-2-3-6-16)14-24-19-11-12-23-20-13-17(22)9-10-18(19)20/h2-3,5-6,9-13,15H,4,7-8,14H2,1H3,(H,23,24)
InChIKeyHKUMVEQPQCCSSK-UHFFFAOYSA-N
MW369.87 g/mol
LogP4.81
Rot. Bonds8

About CID 53360581

CID 53360581 (PubChem CID 53360581) has the molecular formula C21H22ClN2O2 and a molecular weight of 369.87 g/mol.

Molecular Properties

Compound NameCID 53360581
PubChem CID53360581
Molecular FormulaC21H22ClN2O2
Molecular Weight369.87 g/mol
Exact Mass369.14
IUPAC Name—
SMILESCC(CNc1ccnc2cc(Cl)ccc12)OC(=O)CCC[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C21H22ClN2O2/c1-15(26-21(25)8-4-7-16-5-2-3-6-16)14-24-19-11-12-23-20-13-17(22)9-10-18(19)20/h2-3,5-6,9-13,15H,4,7-8,14H2,1H3,(H,23,24)
InChIKeyHKUMVEQPQCCSSK-UHFFFAOYSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 53360585
CID 53360585
CID 10433026
CID 10433026
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
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2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid
CID 65224478
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159058
N-butyl-7-chloroquinolin-4-amine
CID 10037042
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277

Frequently Asked Questions

What is the IUPAC name of CID 53360581?
The IUPAC name of CID 53360581 (CID 53360581) is not available.
What is the SMILES notation for CID 53360581?
The canonical SMILES for CID 53360581 is CC(CNc1ccnc2cc(Cl)ccc12)OC(=O)CCC[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 53360581?
The InChIKey is HKUMVEQPQCCSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN2O2/c1-15(26-21(25)8-4-7-16-5-2-3-6-16)14-24-19-11-12-23-20-13-17(22)9-10-18(19)20/h2-3,5-6,9-13,15H,4,7-8,14H2,1H3,(H,23,24).
What are the key properties of CID 53360581?
CID 53360581 has a molecular weight of 369.87 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53360581 is sourced from PubChem (CID 53360581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).