N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide

C23H18ClN3O2 — CID 11112218

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1)c1ccccc1
InChIInChI=1S/C23H18ClN3O2/c24-17-6-7-20-21(8-9-25-22(20)12-17)26-18-10-15(14-28)11-19(13-18)27-23(29)16-4-2-1-3-5-16/h1-13,28H,14H2,(H,25,26)(H,27,29)
InChIKeyJHEYWLCKSYIYEE-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.38
Rot. Bonds5

About N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide

N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide (PubChem CID 11112218) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide
PubChem CID11112218
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1)c1ccccc1
InChIInChI=1S/C23H18ClN3O2/c24-17-6-7-20-21(8-9-25-22(20)12-17)26-18-10-15(14-28)11-19(13-18)27-23(29)16-4-2-1-3-5-16/h1-13,28H,14H2,(H,25,26)(H,27,29)
InChIKeyJHEYWLCKSYIYEE-UHFFFAOYSA-N
XLogP5.38
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Glafenine
CID 3474
4-Hydroxy-7-chloroquinolone,3-(3-indol-1YL)pheny
CID 54704880
Glafenine hydrochloride
CID 3085326
[3-[(7-Chloroquinolin-4-yl)amino]-5-[(2-piperidin-1-ylacetyl)amino]phenyl]methyl 6-(3-methyl-1,4-dioxonaphthalen-2-yl)hexanoate
CID 10327323
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide
CID 44544143
[3-[(7-Chloro-4-quinolyl)amino]phenyl]methanol
CID 66554431
[2-[(7-Chloroquinolin-4-yl)amino]phenyl]methanol
CID 69173059
4-[(7-Chloroquinolin-4-yl)amino]benzoic acid
CID 686283
4-Piperidinol, 4-(4-chlorophenyl)-1-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-
CID 3054997
4-Chloro-N-quinolin-5-yl-benzamide
CID 856018
4,5-Dichloro-N-quinolin-5-yl-phthalamic acid
CID 1085889
4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzoic acid
CID 9784938

Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide (CID 11112218) is N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide is O=C(Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1)c1ccccc1.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide?
The InChIKey is JHEYWLCKSYIYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-17-6-7-20-21(8-9-25-22(20)12-17)26-18-10-15(14-28)11-19(13-18)27-23(29)16-4-2-1-3-5-16/h1-13,28H,14H2,(H,25,26)(H,27,29).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide?
N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide has a molecular weight of 403.87 g/mol, XLogP of 5.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 11112218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).