(6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

C23H30N4O2 — CID 89200297

IUPAC(6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESC=CCN1C[C@H](C(=O)NC(=O)N(C)CC)CC2c3cccc4c3c(cn4C)C[C@H]21
InChIInChI=1S/C23H30N4O2/c1-5-10-27-14-16(22(28)24-23(29)25(3)6-2)11-18-17-8-7-9-19-21(17)15(12-20(18)27)13-26(19)4/h5,7-9,13,16,18,20H,1,6,10-12,14H2,2-4H3,(H,24,28,29)/t16-,18?,20-/m1/s1
InChIKeyHITUTHODQLDHSJ-OPZSGVPXSA-N
MW394.52 g/mol
LogP2.88
Rot. Bonds4

About (6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 89200297) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID89200297
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESC=CCN1C[C@H](C(=O)NC(=O)N(C)CC)CC2c3cccc4c3c(cn4C)C[C@H]21
InChIInChI=1S/C23H30N4O2/c1-5-10-27-14-16(22(28)24-23(29)25(3)6-2)11-18-17-8-7-9-19-21(17)15(12-20(18)27)13-26(19)4/h5,7-9,13,16,18,20H,1,6,10-12,14H2,2-4H3,(H,24,28,29)/t16-,18?,20-/m1/s1
InChIKeyHITUTHODQLDHSJ-OPZSGVPXSA-N
XLogP2.88
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 89200297) is (6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is C=CCN1C[C@H](C(=O)NC(=O)N(C)CC)CC2c3cccc4c3c(cn4C)C[C@H]21.
What is the InChIKey of (6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is HITUTHODQLDHSJ-OPZSGVPXSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-5-10-27-14-16(22(28)24-23(29)25(3)6-2)11-18-17-8-7-9-19-21(17)15(12-20(18)27)13-26(19)4/h5,7-9,13,16,18,20H,1,6,10-12,14H2,2-4H3,(H,24,28,29)/t16-,18?,20-/m1/s1.
What are the key properties of (6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-N-[ethyl(methyl)carbamoyl]-4-methyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 89200297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).