N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane

C19H19BrN2O2 — CID 159643443

IUPACN-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane
SMILESC.O=C(NCCc1ccc(Br)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C18H15BrN2O2.CH4/c19-14-6-3-12(4-7-14)9-11-21-18(23)15-8-5-13-2-1-10-20-16(13)17(15)22;/h1-8,10,22H,9,11H2,(H,21,23);1H4
InChIKeyMQQQFHVRTAYLNK-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.31
Rot. Bonds4

About N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane

N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane (PubChem CID 159643443) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane
PubChem CID159643443
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC NameN-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane
SMILESC.O=C(NCCc1ccc(Br)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C18H15BrN2O2.CH4/c19-14-6-3-12(4-7-14)9-11-21-18(23)15-8-5-13-2-1-10-20-16(13)17(15)22;/h1-8,10,22H,9,11H2,(H,21,23);1H4
InChIKeyMQQQFHVRTAYLNK-UHFFFAOYSA-N
XLogP4.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
CID 18372521
8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane
CID 157185579
N-(3,3-diphenylpropyl)-8-hydroxyquinoline-7-carboxamide
CID 18372579
N-(2-bromophenyl)-8-hydroxyquinoline-7-carboxamide;methane
CID 161317877
8-hydroxy-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 53302604
8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]heptyl]quinoline-7-carboxamide
CID 10419033
8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide
CID 18345011
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide
CID 18372541
8-hydroxy-N-(3-phenylprop-2-enyl)quinoline-7-carboxamide
CID 68896999
8-hydroxy-N-[(E)-3-phenylprop-2-enyl]quinoline-7-carboxamide
CID 22346434
N-[(2,4-dichlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159727206
8-hydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]quinoline-7-carboxamide;methane
CID 158606160

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane (CID 159643443) is N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane is C.O=C(NCCc1ccc(Br)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane?
The InChIKey is MQQQFHVRTAYLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2.CH4/c19-14-6-3-12(4-7-14)9-11-21-18(23)15-8-5-13-2-1-10-20-16(13)17(15)22;/h1-8,10,22H,9,11H2,(H,21,23);1H4.
What are the key properties of N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane?
N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane has a molecular weight of 387.28 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane is sourced from PubChem (CID 159643443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).