ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate

C23H24N2O5 — CID 46405824

IUPACethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(CN3CCCc4cccc(OC)c43)cc(=O)oc2c1
InChIInChI=1S/C23H24N2O5/c1-3-29-23(27)24-17-9-10-18-16(12-21(26)30-20(18)13-17)14-25-11-5-7-15-6-4-8-19(28-2)22(15)25/h4,6,8-10,12-13H,3,5,7,11,14H2,1-2H3,(H,24,27)
InChIKeySNDSKLUIEUMNIV-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.32
Rot. Bonds5

About ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate

ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate (PubChem CID 46405824) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate
PubChem CID46405824
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Nameethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(CN3CCCc4cccc(OC)c43)cc(=O)oc2c1
InChIInChI=1S/C23H24N2O5/c1-3-29-23(27)24-17-9-10-18-16(12-21(26)30-20(18)13-17)14-25-11-5-7-15-6-4-8-19(28-2)22(15)25/h4,6,8-10,12-13H,3,5,7,11,14H2,1-2H3,(H,24,27)
InChIKeySNDSKLUIEUMNIV-UHFFFAOYSA-N
XLogP4.32
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-[(4-methoxypiperidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate
CID 55476397
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(2-methoxyphenyl)acetate
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[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl-[(1S)-1-(2-methoxyphenyl)ethyl]azanium
CID 8016852
ethyl N-[4-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]-2-oxochromen-7-yl]carbamate
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[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-acetamido-4,5-dimethoxybenzoate
CID 41279689
ethyl 2-[[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 55602216
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate
CID 7891680
ethyl N-[4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-oxochromen-7-yl]carbamate
CID 43061695
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(4-methoxyphenoxy)acetate
CID 41463805
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-phenylsulfanylacetate
CID 40619628
ethyl N-[4-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-2-oxochromen-7-yl]carbamate
CID 46806716
ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate
CID 154341354

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate?
The IUPAC name of ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate (CID 46405824) is ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate.
What is the SMILES notation for ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate?
The canonical SMILES for ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate is CCOC(=O)Nc1ccc2c(CN3CCCc4cccc(OC)c43)cc(=O)oc2c1.
What is the InChIKey of ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate?
The InChIKey is SNDSKLUIEUMNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-3-29-23(27)24-17-9-10-18-16(12-21(26)30-20(18)13-17)14-25-11-5-7-15-6-4-8-19(28-2)22(15)25/h4,6,8-10,12-13H,3,5,7,11,14H2,1-2H3,(H,24,27).
What are the key properties of ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate?
ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate has a molecular weight of 408.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxochromen-7-yl]carbamate is sourced from PubChem (CID 46405824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).