1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea

C19H18N4O5 — CID 35396955

IUPAC1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea
SMILESCCNc1c(NC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(=O)oc2ccccc12
InChIInChI=1S/C19H18N4O5/c1-3-20-16-12-6-4-5-7-15(12)28-18(24)17(16)22-19(25)21-13-9-8-11(2)10-14(13)23(26)27/h4-10,20H,3H2,1-2H3,(H2,21,22,25)
InChIKeyXKEQQNZAXWVOCG-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.09
Rot. Bonds5

About 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea

1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea (PubChem CID 35396955) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea.

Molecular Properties

Compound Name1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea
PubChem CID35396955
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea
SMILESCCNc1c(NC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(=O)oc2ccccc12
InChIInChI=1S/C19H18N4O5/c1-3-20-16-12-6-4-5-7-15(12)28-18(24)17(16)22-19(25)21-13-9-8-11(2)10-14(13)23(26)27/h4-10,20H,3H2,1-2H3,(H2,21,22,25)
InChIKeyXKEQQNZAXWVOCG-UHFFFAOYSA-N
XLogP4.09
TPSA126.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 35397147
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea
CID 6471934
1-benzyl-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 50762055
1-(3-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 50762131
1-[(2S)-butan-2-yl]-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 35396976
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea
CID 35396970
N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide
CID 22432408
1-(2-chloro-4-methylphenyl)-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 35397238
1-[4-(methylamino)-2-oxochromen-3-yl]-3-(2-methylphenyl)urea
CID 39735085
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(oxolan-2-ylmethyl)urea
CID 50762128
N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide
CID 22433885
ethyl 2-[(3-nitro-2-oxochromen-4-yl)amino]acetate
CID 3356668

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea?
The IUPAC name of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea (CID 35396955) is 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea.
What is the SMILES notation for 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea?
The canonical SMILES for 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea is CCNc1c(NC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(=O)oc2ccccc12.
What is the InChIKey of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea?
The InChIKey is XKEQQNZAXWVOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-3-20-16-12-6-4-5-7-15(12)28-18(24)17(16)22-19(25)21-13-9-8-11(2)10-14(13)23(26)27/h4-10,20H,3H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea?
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea has a molecular weight of 382.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea is sourced from PubChem (CID 35396955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).