6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole

C18H13ClN2O — CID 86188129

IUPAC6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
SMILESCOc1ccc(-c2cncc3[nH]c4ccc(Cl)cc4c23)cc1
InChIInChI=1S/C18H13ClN2O/c1-22-13-5-2-11(3-6-13)15-9-20-10-17-18(15)14-8-12(19)4-7-16(14)21-17/h2-10,21H,1H3
InChIKeyATZCGSUPNKHTNT-UHFFFAOYSA-N
MW308.77 g/mol
LogP5.05
Rot. Bonds2

About 6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole

6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole (PubChem CID 86188129) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
PubChem CID86188129
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
SMILESCOc1ccc(-c2cncc3[nH]c4ccc(Cl)cc4c23)cc1
InChIInChI=1S/C18H13ClN2O/c1-22-13-5-2-11(3-6-13)15-9-20-10-17-18(15)14-8-12(19)4-7-16(14)21-17/h2-10,21H,1H3
InChIKeyATZCGSUPNKHTNT-UHFFFAOYSA-N
XLogP5.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.77
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6,11,15-tetrakis(4-methoxyphenyl)-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene
CID 101487109
6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 166443646
2-chloro-7-methoxy-10H-indolo[3,2-b]quinoline
CID 71682270
5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole
CID 143870441
3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole
CID 10758096
6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464
4-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-amine
CID 66927023
4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3892528
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene
CID 162716901
(5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene
CID 154723195
5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 177401984

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole (CID 86188129) is 6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole is COc1ccc(-c2cncc3[nH]c4ccc(Cl)cc4c23)cc1.
What is the InChIKey of 6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole?
The InChIKey is ATZCGSUPNKHTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c1-22-13-5-2-11(3-6-13)15-9-20-10-17-18(15)14-8-12(19)4-7-16(14)21-17/h2-10,21H,1H3.
What are the key properties of 6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole?
6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole has a molecular weight of 308.77 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 86188129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).