N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide

C25H22ClN3O2 — CID 11575621

IUPACN-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide
SMILESCCCc1cc(N)c2cc(NC(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)ccc2n1
InChIInChI=1S/C25H22ClN3O2/c1-2-3-18-15-23(27)22-14-19(8-13-24(22)28-18)29-25(30)16-4-9-20(10-5-16)31-21-11-6-17(26)7-12-21/h4-15H,2-3H2,1H3,(H2,27,28)(H,29,30)
InChIKeyZOQISYLAAUDJNO-UHFFFAOYSA-N
MW431.92 g/mol
LogP6.47
Rot. Bonds6

About N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide

N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide (PubChem CID 11575621) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide.

Molecular Properties

Compound NameN-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide
PubChem CID11575621
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC NameN-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide
SMILESCCCc1cc(N)c2cc(NC(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)ccc2n1
InChIInChI=1S/C25H22ClN3O2/c1-2-3-18-15-23(27)22-14-19(8-13-24(22)28-18)29-25(30)16-4-9-20(10-5-16)31-21-11-6-17(26)7-12-21/h4-15H,2-3H2,1H3,(H2,27,28)(H,29,30)
InChIKeyZOQISYLAAUDJNO-UHFFFAOYSA-N
XLogP6.47
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 68978733
N-(4-amino-2-ethylquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide
CID 10765154
(E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 10309789
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide
CID 91676407
ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate
CID 39851604
N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide
CID 53113532
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
CID 53113515
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide
CID 132503348
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide?
The IUPAC name of N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide (CID 11575621) is N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide.
What is the SMILES notation for N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide?
The canonical SMILES for N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide is CCCc1cc(N)c2cc(NC(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)ccc2n1.
What is the InChIKey of N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide?
The InChIKey is ZOQISYLAAUDJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-2-3-18-15-23(27)22-14-19(8-13-24(22)28-18)29-25(30)16-4-9-20(10-5-16)31-21-11-6-17(26)7-12-21/h4-15H,2-3H2,1H3,(H2,27,28)(H,29,30).
What are the key properties of N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide?
N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide has a molecular weight of 431.92 g/mol, XLogP of 6.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide is sourced from PubChem (CID 11575621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).