1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea

C20H23N5O3 — CID 43815111

IUPAC1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea
SMILESN#Cc1cc2cc3c(cc2nc1NCCNC(=O)NC1CCCCC1)OCO3
InChIInChI=1S/C20H23N5O3/c21-11-14-8-13-9-17-18(28-12-27-17)10-16(13)25-19(14)22-6-7-23-20(26)24-15-4-2-1-3-5-15/h8-10,15H,1-7,12H2,(H,22,25)(H2,23,24,26)
InChIKeyYRLCKIOUZZITJK-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.88
Rot. Bonds5

About 1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea

1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea (PubChem CID 43815111) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea
PubChem CID43815111
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea
SMILESN#Cc1cc2cc3c(cc2nc1NCCNC(=O)NC1CCCCC1)OCO3
InChIInChI=1S/C20H23N5O3/c21-11-14-8-13-9-17-18(28-12-27-17)10-16(13)25-19(14)22-6-7-23-20(26)24-15-4-2-1-3-5-15/h8-10,15H,1-7,12H2,(H,22,25)(H2,23,24,26)
InChIKeyYRLCKIOUZZITJK-UHFFFAOYSA-N
XLogP2.88
TPSA108.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea with MolForge

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Related Compounds

N-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]furan-2-carboxamide
CID 43815507
N-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3,4-dimethoxybenzamide
CID 43815489
4-[3-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]propylamino]-4-oxobutanoic acid
CID 4678483
1-benzyl-3-[3-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]propyl]urea
CID 43815114
1-(4-chlorophenyl)-3-[3-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]propyl]urea
CID 43815037
1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-phenylthiourea
CID 43815145
1-[3-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]propyl]-3-ethylthiourea
CID 91736295
N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3221678
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773
1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
CID 62663846
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(cyclohexylcarbamoylamino)propanamide
CID 18152940
N-(1,3-benzodioxol-5-ylmethyl)-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 16614852

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea (CID 43815111) is 1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea is N#Cc1cc2cc3c(cc2nc1NCCNC(=O)NC1CCCCC1)OCO3.
What is the InChIKey of 1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea?
The InChIKey is YRLCKIOUZZITJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c21-11-14-8-13-9-17-18(28-12-27-17)10-16(13)25-19(14)22-6-7-23-20(26)24-15-4-2-1-3-5-15/h8-10,15H,1-7,12H2,(H,22,25)(H2,23,24,26).
What are the key properties of 1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea?
1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea has a molecular weight of 381.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3-cyclohexylurea is sourced from PubChem (CID 43815111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).