N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

C26H29N3O2 — CID 76859122

IUPACN-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESCOc1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)NCCCN(C)C)cc1
InChIInChI=1S/C26H29N3O2/c1-29(2)16-6-15-27-26(30)24-21-7-4-5-8-23(21)28-25-19(11-14-22(24)25)17-18-9-12-20(31-3)13-10-18/h4-5,7-10,12-13,17H,6,11,14-16H2,1-3H3,(H,27,30)
InChIKeyOLKKPNSMOCYMCL-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.41
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 76859122) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
PubChem CID76859122
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESCOc1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)NCCCN(C)C)cc1
InChIInChI=1S/C26H29N3O2/c1-29(2)16-6-15-27-26(30)24-21-7-4-5-8-23(21)28-25-19(11-14-22(24)25)17-18-9-12-20(31-3)13-10-18/h4-5,7-10,12-13,17H,6,11,14-16H2,1-3H3,(H,27,30)
InChIKeyOLKKPNSMOCYMCL-UHFFFAOYSA-N
XLogP4.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 76859122) is N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is COc1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)NCCCN(C)C)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The InChIKey is OLKKPNSMOCYMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-29(2)16-6-15-27-26(30)24-21-7-4-5-8-23(21)28-25-19(11-14-22(24)25)17-18-9-12-20(31-3)13-10-18/h4-5,7-10,12-13,17H,6,11,14-16H2,1-3H3,(H,27,30).
What are the key properties of N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 76859122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).