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

C27H23N3O3 — CID 10113967

IUPAC3-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate
SMILESO=C(Nc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)[nH]c2c1)OCCCc1ccccc1
InChIInChI=1S/C27H23N3O3/c31-26-22(23-17-28-24-11-5-4-10-21(23)24)15-19-12-13-20(16-25(19)30-26)29-27(32)33-14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-13,15-17,28H,6,9,14H2,(H,29,32)(H,30,31)
InChIKeyOHFRVDCRZSYDQY-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.86
Rot. Bonds6

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

3-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate (PubChem CID 10113967) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate.

Molecular Properties

Compound Name3-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate
PubChem CID10113967
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name3-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate
SMILESO=C(Nc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)[nH]c2c1)OCCCc1ccccc1
InChIInChI=1S/C27H23N3O3/c31-26-22(23-17-28-24-11-5-4-10-21(23)24)15-19-12-13-20(16-25(19)30-26)29-27(32)33-14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-13,15-17,28H,6,9,14H2,(H,29,32)(H,30,31)
InChIKeyOHFRVDCRZSYDQY-UHFFFAOYSA-N
XLogP5.86
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxyphenyl)propyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate
CID 10275882
(3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate
CID 10299345
3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676
2-(1H-indol-3-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide
CID 110427960
methyl 3-[[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]amino]-3-oxopropanoate
CID 10112203
N-[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]hexanamide
CID 10136109
benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
CID 15224337
N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide
CID 102266591
2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid
CID 19001014
trimethyl-[[5-(phenylmethoxycarbonylamino)-1H-indol-3-yl]methyl]azanium
CID 87680579
N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 61221955
5-(1H-indol-3-yl)-N-phenylfuran-3-carboxamide
CID 146637941

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate?
The IUPAC name of 3-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate (CID 10113967) is 3-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate.
What is the SMILES notation for 3-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate?
The canonical SMILES for 3-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate is O=C(Nc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)[nH]c2c1)OCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate?
The InChIKey is OHFRVDCRZSYDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c31-26-22(23-17-28-24-11-5-4-10-21(23)24)15-19-12-13-20(16-25(19)30-26)29-27(32)33-14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-13,15-17,28H,6,9,14H2,(H,29,32)(H,30,31).
What are the key properties of 3-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate?
3-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate has a molecular weight of 437.50 g/mol, XLogP of 5.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate is sourced from PubChem (CID 10113967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).