(3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate

C25H17Cl2N3O3 — CID 10299345

IUPAC(3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate
SMILESO=C(Nc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)[nH]c2c1)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H17Cl2N3O3/c26-20-8-5-14(9-21(20)27)13-33-25(32)29-16-7-6-15-10-18(24(31)30-23(15)11-16)19-12-28-22-4-2-1-3-17(19)22/h1-12,28H,13H2,(H,29,32)(H,30,31)
InChIKeyYRPGGZJWVRRVOV-UHFFFAOYSA-N
MW478.34 g/mol
LogP6.73
Rot. Bonds4

About (3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate

(3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate (PubChem CID 10299345) has the molecular formula C25H17Cl2N3O3 and a molecular weight of 478.34 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate
PubChem CID10299345
Molecular FormulaC25H17Cl2N3O3
Molecular Weight478.34 g/mol
Exact Mass477.06
IUPAC Name(3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate
SMILESO=C(Nc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)[nH]c2c1)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H17Cl2N3O3/c26-20-8-5-14(9-21(20)27)13-33-25(32)29-16-7-6-15-10-18(24(31)30-23(15)11-16)19-12-28-22-4-2-1-3-17(19)22/h1-12,28H,13H2,(H,29,32)(H,30,31)
InChIKeyYRPGGZJWVRRVOV-UHFFFAOYSA-N
XLogP6.73
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.34
LogP ≤ 56.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-phenylpropyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate
CID 10113967
benzyl N-[2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-6-yl]carbamate
CID 135929573
methyl 3-[[8-chloro-3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]amino]-3-oxopropanoate
CID 10112203
2-(1H-indol-3-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide
CID 110427960
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
2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
CID 63490590
N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide
CID 55821579
trimethyl-[[5-(phenylmethoxycarbonylamino)-1H-indol-3-yl]methyl]azanium
CID 87680579
2-(3,4-dichlorophenyl)-N-naphthalen-2-ylacetamide
CID 7900527
N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide
CID 78630599

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate?
The IUPAC name of (3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate (CID 10299345) is (3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate?
The canonical SMILES for (3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate is O=C(Nc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)[nH]c2c1)OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate?
The InChIKey is YRPGGZJWVRRVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2N3O3/c26-20-8-5-14(9-21(20)27)13-33-25(32)29-16-7-6-15-10-18(24(31)30-23(15)11-16)19-12-28-22-4-2-1-3-17(19)22/h1-12,28H,13H2,(H,29,32)(H,30,31).
What are the key properties of (3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate?
(3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate has a molecular weight of 478.34 g/mol, XLogP of 6.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl N-[3-(1H-indol-3-yl)-2-oxo-1H-quinolin-7-yl]carbamate is sourced from PubChem (CID 10299345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).