[(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea

C16H20N4O — CID 54385327

IUPAC[(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea
SMILESCn1c(NC(N)=O)c2c3c(cccc31)C1CCCN[C@@H]1C2
InChIInChI=1S/C16H20N4O/c1-20-13-6-2-4-10-9-5-3-7-18-12(9)8-11(14(10)13)15(20)19-16(17)21/h2,4,6,9,12,18H,3,5,7-8H2,1H3,(H3,17,19,21)/t9?,12-/m1/s1
InChIKeyVCUVDMLYSKZBOF-FFFFSGIJSA-N
MW284.36 g/mol
LogP2.06
Rot. Bonds1

About [(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea

[(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea (PubChem CID 54385327) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea.

Molecular Properties

Compound Name[(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea
PubChem CID54385327
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea
SMILESCn1c(NC(N)=O)c2c3c(cccc31)C1CCCN[C@@H]1C2
InChIInChI=1S/C16H20N4O/c1-20-13-6-2-4-10-9-5-3-7-18-12(9)8-11(14(10)13)15(20)19-16(17)21/h2,4,6,9,12,18H,3,5,7-8H2,1H3,(H3,17,19,21)/t9?,12-/m1/s1
InChIKeyVCUVDMLYSKZBOF-FFFFSGIJSA-N
XLogP2.06
TPSA72.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea?
The IUPAC name of [(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea (CID 54385327) is [(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea.
What is the SMILES notation for [(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea?
The canonical SMILES for [(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea is Cn1c(NC(N)=O)c2c3c(cccc31)C1CCCN[C@@H]1C2.
What is the InChIKey of [(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea?
The InChIKey is VCUVDMLYSKZBOF-FFFFSGIJSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-13-6-2-4-10-9-5-3-7-18-12(9)8-11(14(10)13)15(20)19-16(17)21/h2,4,6,9,12,18H,3,5,7-8H2,1H3,(H3,17,19,21)/t9?,12-/m1/s1.
What are the key properties of [(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea?
[(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea has a molecular weight of 284.36 g/mol, XLogP of 2.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR)-4-methyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-5-yl]urea is sourced from PubChem (CID 54385327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).