(4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone

C19H18N2O2 — CID 6539922

IUPAC(4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone
SMILESCn1c2c(c3ccccc31)CCN(C(=O)c1ccc(O)cc1)C2
InChIInChI=1S/C19H18N2O2/c1-20-17-5-3-2-4-15(17)16-10-11-21(12-18(16)20)19(23)13-6-8-14(22)9-7-13/h2-9,22H,10-12H2,1H3
InChIKeyHULPDUSLVKXARL-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.08
Rot. Bonds1

About (4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone

(4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone (PubChem CID 6539922) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone
PubChem CID6539922
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone
SMILESCn1c2c(c3ccccc31)CCN(C(=O)c1ccc(O)cc1)C2
InChIInChI=1S/C19H18N2O2/c1-20-17-5-3-2-4-15(17)16-10-11-21(12-18(16)20)19(23)13-6-8-14(22)9-7-13/h2-9,22H,10-12H2,1H3
InChIKeyHULPDUSLVKXARL-UHFFFAOYSA-N
XLogP3.08
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one
CID 113089930
(4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
CID 113089107
(3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
CID 113089087
N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide
CID 113089986
2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one
CID 12884007
2-chloro-1-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
CID 42695028
2-(4-chlorophenoxy)-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone
CID 113089964
N-hydroxy-4-[[2-(4-propylbenzoyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]methyl]benzamide
CID 162517986
[9-(benzenesulfonyl)-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-3-yl]-phenylmethanone
CID 12011168
2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 674261
2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 43866445
methyl 5-(2-benzoyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)pentanoate
CID 175679386

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone?
The IUPAC name of (4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone (CID 6539922) is (4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone.
What is the SMILES notation for (4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone?
The canonical SMILES for (4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone is Cn1c2c(c3ccccc31)CCN(C(=O)c1ccc(O)cc1)C2.
What is the InChIKey of (4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone?
The InChIKey is HULPDUSLVKXARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-20-17-5-3-2-4-15(17)16-10-11-21(12-18(16)20)19(23)13-6-8-14(22)9-7-13/h2-9,22H,10-12H2,1H3.
What are the key properties of (4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone?
(4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone is sourced from PubChem (CID 6539922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).