1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea

C14H17N3O3 — CID 6471719

IUPAC1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea
SMILESCCCNC(=O)Nc1c(NC)c2ccccc2oc1=O
InChIInChI=1S/C14H17N3O3/c1-3-8-16-14(19)17-12-11(15-2)9-6-4-5-7-10(9)20-13(12)18/h4-7,15H,3,8H2,1-2H3,(H2,16,17,19)
InChIKeyRVISVLSCDLGRDI-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.37
Rot. Bonds4

About 1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea

1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea (PubChem CID 6471719) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea.

Molecular Properties

Compound Name1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea
PubChem CID6471719
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea
SMILESCCCNC(=O)Nc1c(NC)c2ccccc2oc1=O
InChIInChI=1S/C14H17N3O3/c1-3-8-16-14(19)17-12-11(15-2)9-6-4-5-7-10(9)20-13(12)18/h4-7,15H,3,8H2,1-2H3,(H2,16,17,19)
InChIKeyRVISVLSCDLGRDI-UHFFFAOYSA-N
XLogP2.37
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea 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-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea
CID 50762048
1-[4-(methylamino)-2-oxochromen-3-yl]-3-(2-methylphenyl)urea
CID 39735085
1-benzyl-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 50762055
1-[[(2S)-oxolan-2-yl]methyl]-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 40639404
1-(4-methoxyphenyl)-3-[4-(methylamino)-2-oxochromen-3-yl]urea
CID 6471218
1-(4-chlorophenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 35397184
1-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 22433730
1-(3-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 50762131
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea
CID 6471934
1-(2-chloro-4-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 35397147
N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide
CID 22433883
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(oxolan-2-ylmethyl)urea
CID 50762128

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea?
The IUPAC name of 1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea (CID 6471719) is 1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea.
What is the SMILES notation for 1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea?
The canonical SMILES for 1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea is CCCNC(=O)Nc1c(NC)c2ccccc2oc1=O.
What is the InChIKey of 1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea?
The InChIKey is RVISVLSCDLGRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-8-16-14(19)17-12-11(15-2)9-6-4-5-7-10(9)20-13(12)18/h4-7,15H,3,8H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea?
1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea has a molecular weight of 275.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea is sourced from PubChem (CID 6471719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).