7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one

C24H18ClN3O2 — CID 11502552

IUPAC7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CCN(c2ccc(O)cc2)c2cc(Cl)ccc2N1c1ccc2ccccc2n1
InChIInChI=1S/C24H18ClN3O2/c25-17-6-11-21-22(15-17)27(18-7-9-19(29)10-8-18)14-13-24(30)28(21)23-12-5-16-3-1-2-4-20(16)26-23/h1-12,15,29H,13-14H2
InChIKeyFOWIGZPFOYLHBN-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.80
Rot. Bonds2

About 7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one

7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one (PubChem CID 11502552) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is 7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one
PubChem CID11502552
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC Name7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CCN(c2ccc(O)cc2)c2cc(Cl)ccc2N1c1ccc2ccccc2n1
InChIInChI=1S/C24H18ClN3O2/c25-17-6-11-21-22(15-17)27(18-7-9-19(29)10-8-18)14-13-24(30)28(21)23-12-5-16-3-1-2-4-20(16)26-23/h1-12,15,29H,13-14H2
InChIKeyFOWIGZPFOYLHBN-UHFFFAOYSA-N
XLogP5.80
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one (CID 11502552) is 7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one is O=C1CCN(c2ccc(O)cc2)c2cc(Cl)ccc2N1c1ccc2ccccc2n1.
What is the InChIKey of 7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is FOWIGZPFOYLHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c25-17-6-11-21-22(15-17)27(18-7-9-19(29)10-8-18)14-13-24(30)28(21)23-12-5-16-3-1-2-4-20(16)26-23/h1-12,15,29H,13-14H2.
What are the key properties of 7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one?
7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 415.88 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-hydroxyphenyl)-1-quinolin-2-yl-3,4-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 11502552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).