3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate

C27H23N3O4 — CID 10275882

IUPAC3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate
SMILESO=C(Nc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)[nH]c2c1)OCCCc1ccc(O)cc1
InChIInChI=1S/C27H23N3O4/c31-20-11-7-17(8-12-20)4-3-13-34-27(33)29-19-10-9-18-14-22(26(32)30-25(18)15-19)23-16-28-24-6-2-1-5-21(23)24/h1-2,5-12,14-16,28,31H,3-4,13H2,(H,29,33)(H,30,32)
InChIKeyNAIPVHFGYMLNEZ-UHFFFAOYSA-N
MW453.50 g/mol
LogP5.56
Rot. Bonds6

About 3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate

3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate (PubChem CID 10275882) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate
PubChem CID10275882
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC Name3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate
SMILESO=C(Nc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)[nH]c2c1)OCCCc1ccc(O)cc1
InChIInChI=1S/C27H23N3O4/c31-20-11-7-17(8-12-20)4-3-13-34-27(33)29-19-10-9-18-14-22(26(32)30-25(18)15-19)23-16-28-24-6-2-1-5-21(23)24/h1-2,5-12,14-16,28,31H,3-4,13H2,(H,29,33)(H,30,32)
InChIKeyNAIPVHFGYMLNEZ-UHFFFAOYSA-N
XLogP5.56
TPSA107.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 55.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate?
The IUPAC name of 3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate (CID 10275882) is 3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate.
What is the SMILES notation for 3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate?
The canonical SMILES for 3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate is O=C(Nc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)[nH]c2c1)OCCCc1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate?
The InChIKey is NAIPVHFGYMLNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c31-20-11-7-17(8-12-20)4-3-13-34-27(33)29-19-10-9-18-14-22(26(32)30-25(18)15-19)23-16-28-24-6-2-1-5-21(23)24/h1-2,5-12,14-16,28,31H,3-4,13H2,(H,29,33)(H,30,32).
What are the key properties of 3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate?
3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate has a molecular weight of 453.50 g/mol, XLogP of 5.56, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate is sourced from PubChem (CID 10275882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).