(E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide

C24H24ClN5O — CID 10765259

IUPAC(E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide
SMILESC=CCN1C[C@H](/C=C/C(=O)Nc2ccc(Cl)nn2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C24H24ClN5O/c1-2-10-30-14-15(6-9-23(31)27-22-8-7-21(25)28-29-22)11-18-17-4-3-5-19-24(17)16(13-26-19)12-20(18)30/h2-9,13,15,18,20,26H,1,10-12,14H2,(H,27,29,31)/b9-6+/t15-,18-,20-/m1/s1
InChIKeyKBSCWOBKMNRCDZ-KVQVPNHPSA-N
MW433.94 g/mol
LogP4.32
Rot. Bonds5

About (E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide

(E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide (PubChem CID 10765259) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is (E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide
PubChem CID10765259
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC Name(E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide
SMILESC=CCN1C[C@H](/C=C/C(=O)Nc2ccc(Cl)nn2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C24H24ClN5O/c1-2-10-30-14-15(6-9-23(31)27-22-8-7-21(25)28-29-22)11-18-17-4-3-5-19-24(17)16(13-26-19)12-20(18)30/h2-9,13,15,18,20,26H,1,10-12,14H2,(H,27,29,31)/b9-6+/t15-,18-,20-/m1/s1
InChIKeyKBSCWOBKMNRCDZ-KVQVPNHPSA-N
XLogP4.32
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide with MolForge

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Related Compounds

(6aR,9R)-N-(6-chloropyridazin-3-yl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 56613136
(E)-3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide
CID 10409144
(6aR,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 57002395
2-[(6aR)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-ylidene]-N-(6-chloropyridazin-3-yl)acetamide
CID 54265064
2-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)acetamide
CID 10572806
2-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 145453287
(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 10927015
2-[1-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]propyl-methylamino]acetic acid
CID 69038083
1-[[(6aR,9R)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 88654900
3-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]propyl acetate
CID 91199959
(6aR,10aR)-7-methyl-N-(6-pyrrol-1-ylpyridazin-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 70485505
(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;1,3,5-trimethylbenzene
CID 69314497

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide (CID 10765259) is (E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide is C=CCN1C[C@H](/C=C/C(=O)Nc2ccc(Cl)nn2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide?
The InChIKey is KBSCWOBKMNRCDZ-KVQVPNHPSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-2-10-30-14-15(6-9-23(31)27-22-8-7-21(25)28-29-22)11-18-17-4-3-5-19-24(17)16(13-26-19)12-20(18)30/h2-9,13,15,18,20,26H,1,10-12,14H2,(H,27,29,31)/b9-6+/t15-,18-,20-/m1/s1.
What are the key properties of (E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide?
(E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide has a molecular weight of 433.94 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(6aR,9S,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(6-chloropyridazin-3-yl)prop-2-enamide is sourced from PubChem (CID 10765259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).