1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea

C20H21N3O4 — CID 22433730

IUPAC1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
SMILESCCCNc1c(NC(=O)Nc2ccccc2OC)c(=O)oc2ccccc12
InChIInChI=1S/C20H21N3O4/c1-3-12-21-17-13-8-4-6-10-15(13)27-19(24)18(17)23-20(25)22-14-9-5-7-11-16(14)26-2/h4-11,21H,3,12H2,1-2H3,(H2,22,23,25)
InChIKeyNORSMWPYPUOTDU-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.27
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea

1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea (PubChem CID 22433730) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
PubChem CID22433730
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
SMILESCCCNc1c(NC(=O)Nc2ccccc2OC)c(=O)oc2ccccc12
InChIInChI=1S/C20H21N3O4/c1-3-12-21-17-13-8-4-6-10-15(13)27-19(24)18(17)23-20(25)22-14-9-5-7-11-16(14)26-2/h4-11,21H,3,12H2,1-2H3,(H2,22,23,25)
InChIKeyNORSMWPYPUOTDU-UHFFFAOYSA-N
XLogP4.27
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 50762086
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea
CID 35396859
1-(3-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 50762131
N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide
CID 22432408
1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea
CID 6471719
1-[[(2S)-oxolan-2-yl]methyl]-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 40639404
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea
CID 6471934
1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea
CID 54723744
1-[4-(methylamino)-2-oxochromen-3-yl]-3-(2-methylphenyl)urea
CID 39735085
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea
CID 22433735
1-benzyl-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 50762055
1-[(2S)-butan-2-yl]-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 35396976

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea (CID 22433730) is 1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea is CCCNc1c(NC(=O)Nc2ccccc2OC)c(=O)oc2ccccc12.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea?
The InChIKey is NORSMWPYPUOTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-12-21-17-13-8-4-6-10-15(13)27-19(24)18(17)23-20(25)22-14-9-5-7-11-16(14)26-2/h4-11,21H,3,12H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea?
1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea has a molecular weight of 367.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea is sourced from PubChem (CID 22433730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).