N-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine

C24H18ClN3O4 — CID 11351339

IUPACN-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine
SMILESCOc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)cc5)nc4c3)c2cc1OC
InChIInChI=1S/C24H18ClN3O4/c1-29-22-12-17-18(13-23(22)30-2)26-10-9-20(17)31-16-7-8-21-19(11-16)28-24(32-21)27-15-5-3-14(25)4-6-15/h3-13H,1-2H3,(H,27,28)
InChIKeyZCCVUGDQCAGCAA-UHFFFAOYSA-N
MW447.88 g/mol
LogP6.58
Rot. Bonds6

About N-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine

N-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine (PubChem CID 11351339) has the molecular formula C24H18ClN3O4 and a molecular weight of 447.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine
PubChem CID11351339
Molecular FormulaC24H18ClN3O4
Molecular Weight447.88 g/mol
Exact Mass447.10
IUPAC NameN-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine
SMILESCOc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)cc5)nc4c3)c2cc1OC
InChIInChI=1S/C24H18ClN3O4/c1-29-22-12-17-18(13-23(22)30-2)26-10-9-20(17)31-16-7-8-21-19(11-16)28-24(32-21)27-15-5-3-14(25)4-6-15/h3-13H,1-2H3,(H,27,28)
InChIKeyZCCVUGDQCAGCAA-UHFFFAOYSA-N
XLogP6.58
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.88
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-{4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine
CID 11753309
N-(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)-5-[(6,7-dimethoxyquinazolin-4-yl)oxy]-1,3-benzoxazol-2-amine
CID 17755312
N-(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine
CID 17755313
7-chloro-N-{4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}-5-(quinolin-4-yloxy)-1,3-benzoxazol-2-amine
CID 11156873
4-[(2-{[4-chloro-3-(morpholin-4-ylmethyl)phenyl]amino}-1,3-benzoxazol-5-yl)oxy]-N-methylpyridine-2-carboxamide
CID 17755311
N-{4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}-5-(quinolin-4-yloxy)-1,3-benzoxazol-2-amine
CID 17755314
7-(quinolin-6-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24800776
US11365189, Ex. No. 51
CID 155242965
US11365189, Ex. No. 47
CID 155243074
US11365189, Ex. No. 22
CID 155243082
5-quinolin-4-yloxy-N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine
CID 57678493
5-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-amine
CID 57678526

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine (CID 11351339) is N-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine is COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)cc5)nc4c3)c2cc1OC.
What is the InChIKey of N-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine?
The InChIKey is ZCCVUGDQCAGCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O4/c1-29-22-12-17-18(13-23(22)30-2)26-10-9-20(17)31-16-7-8-21-19(11-16)28-24(32-21)27-15-5-3-14(25)4-6-15/h3-13H,1-2H3,(H,27,28).
What are the key properties of N-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine?
N-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine has a molecular weight of 447.88 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzoxazol-2-amine is sourced from PubChem (CID 11351339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).