N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide

C26H29BrN2O3 — CID 68759815

IUPACN-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nc(Oc3ccc(OCC4CCCCC4)cc3Br)ccc2c1
InChIInChI=1S/C26H29BrN2O3/c1-17(28-18(2)30)20-8-11-24-21(14-20)9-13-26(29-24)32-25-12-10-22(15-23(25)27)31-16-19-6-4-3-5-7-19/h8-15,17,19H,3-7,16H2,1-2H3,(H,28,30)
InChIKeyUNKFUDNHFMKHJO-UHFFFAOYSA-N
MW497.43 g/mol
LogP6.95
Rot. Bonds7

About N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide

N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide (PubChem CID 68759815) has the molecular formula C26H29BrN2O3 and a molecular weight of 497.43 g/mol. Its IUPAC name is N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
PubChem CID68759815
Molecular FormulaC26H29BrN2O3
Molecular Weight497.43 g/mol
Exact Mass496.14
IUPAC NameN-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nc(Oc3ccc(OCC4CCCCC4)cc3Br)ccc2c1
InChIInChI=1S/C26H29BrN2O3/c1-17(28-18(2)30)20-8-11-24-21(14-20)9-13-26(29-24)32-25-12-10-22(15-23(25)27)31-16-19-6-4-3-5-7-19/h8-15,17,19H,3-7,16H2,1-2H3,(H,28,30)
InChIKeyUNKFUDNHFMKHJO-UHFFFAOYSA-N
XLogP6.95
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.43
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68761187
N-[1-[2-(3-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68760152
N-[1-[2-[3-bromo-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 70833796
methyl N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]carbamate
CID 70834063
N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide
CID 70833755
N-[1-[2-[3-bromo-4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472842
N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68758504
N-[1-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68762911
1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone
CID 68759784
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide
CID 130472859
1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine
CID 91092196
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472709

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide?
The IUPAC name of N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide (CID 68759815) is N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide is CC(=O)NC(C)c1ccc2nc(Oc3ccc(OCC4CCCCC4)cc3Br)ccc2c1.
What is the InChIKey of N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide?
The InChIKey is UNKFUDNHFMKHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29BrN2O3/c1-17(28-18(2)30)20-8-11-24-21(14-20)9-13-26(29-24)32-25-12-10-22(15-23(25)27)31-16-19-6-4-3-5-7-19/h8-15,17,19H,3-7,16H2,1-2H3,(H,28,30).
What are the key properties of N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide?
N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide has a molecular weight of 497.43 g/mol, XLogP of 6.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide is sourced from PubChem (CID 68759815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).