(3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one

C23H25N3O — CID 24889034

IUPAC(3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one
SMILESCN1CCc2c(-c3ccccc3)cc3c(c2C1)NC(=O)/C3=C1\CCCN1C
InChIInChI=1S/C23H25N3O/c1-25-12-10-16-17(15-7-4-3-5-8-15)13-18-21(20-9-6-11-26(20)2)23(27)24-22(18)19(16)14-25/h3-5,7-8,13H,6,9-12,14H2,1-2H3,(H,24,27)/b21-20+
InChIKeyUVIZTMPLBFUZQV-QZQOTICOSA-N
MW359.47 g/mol
LogP3.73
Rot. Bonds1

About (3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one

(3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one (PubChem CID 24889034) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one.

Molecular Properties

Compound Name(3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one
PubChem CID24889034
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one
SMILESCN1CCc2c(-c3ccccc3)cc3c(c2C1)NC(=O)/C3=C1\CCCN1C
InChIInChI=1S/C23H25N3O/c1-25-12-10-16-17(15-7-4-3-5-8-15)13-18-21(20-9-6-11-26(20)2)23(27)24-22(18)19(16)14-25/h3-5,7-8,13H,6,9-12,14H2,1-2H3,(H,24,27)/b21-20+
InChIKeyUVIZTMPLBFUZQV-QZQOTICOSA-N
XLogP3.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Dimethylaminonaphthalen-1-ylmethylene)-1,3-dihydroindol-2-one
CID 24906291
3-(4-Dimethylamino-naphthalen-1-ylmethylene)-1,3-dihydro-indol-2-one
CID 9839842
4-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-N-mesitylbenzamide
CID 982581
8-Dipropylamino-1,3,6,7,8,9-hexahydro-benzo[e]indol-2-one
CID 10016864
3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-ethyl-1H-indol-2-one
CID 11515799
N-(2-ethyl-1,3-dihydroisoindol-5-yl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzamide
CID 73333227
5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoyl]-1,3-dihydroindol-2-one
CID 134156222
Benzamide, 2,6-diethyl-N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)-
CID 216598
2a-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 22449331
8-[(2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino]-6,7,8,9-tetrahydro-1H-benzo[e]indol-2(3H)-one
CID 24754332
2a-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 44319240
2a-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 44319435

Frequently Asked Questions

What is the IUPAC name of (3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one?
The IUPAC name of (3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one (CID 24889034) is (3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one.
What is the SMILES notation for (3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one?
The canonical SMILES for (3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one is CN1CCc2c(-c3ccccc3)cc3c(c2C1)NC(=O)/C3=C1\CCCN1C.
What is the InChIKey of (3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one?
The InChIKey is UVIZTMPLBFUZQV-QZQOTICOSA-N. The full InChI is InChI=1S/C23H25N3O/c1-25-12-10-16-17(15-7-4-3-5-8-15)13-18-21(20-9-6-11-26(20)2)23(27)24-22(18)19(16)14-25/h3-5,7-8,13H,6,9-12,14H2,1-2H3,(H,24,27)/b21-20+.
What are the key properties of (3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one?
(3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one has a molecular weight of 359.47 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one is sourced from PubChem (CID 24889034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).