3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea

C19H24N4O — CID 15745469

IUPAC3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
SMILESCCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2NC1
InChIInChI=1S/C19H24N4O/c1-3-23(4-2)19(24)22-13-9-15-14-6-5-7-16-18(14)12(10-20-16)8-17(15)21-11-13/h5-7,9-10,13,17,20-21H,3-4,8,11H2,1-2H3,(H,22,24)/t13-,17+/m0/s1
InChIKeyGKSAVQVXLCENOY-SUMWQHHRSA-N
MW324.43 g/mol
LogP2.50
Rot. Bonds3

About 3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea

3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea (PubChem CID 15745469) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
PubChem CID15745469
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
SMILESCCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2NC1
InChIInChI=1S/C19H24N4O/c1-3-23(4-2)19(24)22-13-9-15-14-6-5-7-16-18(14)12(10-20-16)8-17(15)21-11-13/h5-7,9-10,13,17,20-21H,3-4,8,11H2,1-2H3,(H,22,24)/t13-,17+/m0/s1
InChIKeyGKSAVQVXLCENOY-SUMWQHHRSA-N
XLogP2.50
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea?
The IUPAC name of 3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea (CID 15745469) is 3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea.
What is the SMILES notation for 3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea?
The canonical SMILES for 3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea is CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2NC1.
What is the InChIKey of 3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea?
The InChIKey is GKSAVQVXLCENOY-SUMWQHHRSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-23(4-2)19(24)22-13-9-15-14-6-5-7-16-18(14)12(10-20-16)8-17(15)21-11-13/h5-7,9-10,13,17,20-21H,3-4,8,11H2,1-2H3,(H,22,24)/t13-,17+/m0/s1.
What are the key properties of 3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea?
3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea has a molecular weight of 324.43 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6aR,9S)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea is sourced from PubChem (CID 15745469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).