9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one

C32H35N3O3 — CID 46228179

IUPAC9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one
SMILESCN(C)CCCOc1ccc(-c2nc3ccccc3c3c2-c2ccc(OCCCN(C)C)cc2C3=O)cc1
InChIInChI=1S/C32H35N3O3/c1-34(2)17-7-19-37-23-13-11-22(12-14-23)31-29-25-16-15-24(38-20-8-18-35(3)4)21-27(25)32(36)30(29)26-9-5-6-10-28(26)33-31/h5-6,9-16,21H,7-8,17-20H2,1-4H3
InChIKeyFAAIXZHNURGEJZ-UHFFFAOYSA-N
MW509.65 g/mol
LogP5.77
Rot. Bonds11

About 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one

9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one (PubChem CID 46228179) has the molecular formula C32H35N3O3 and a molecular weight of 509.65 g/mol. Its IUPAC name is 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one
PubChem CID46228179
Molecular FormulaC32H35N3O3
Molecular Weight509.65 g/mol
Exact Mass509.27
IUPAC Name9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one
SMILESCN(C)CCCOc1ccc(-c2nc3ccccc3c3c2-c2ccc(OCCCN(C)C)cc2C3=O)cc1
InChIInChI=1S/C32H35N3O3/c1-34(2)17-7-19-37-23-13-11-22(12-14-23)31-29-25-16-15-24(38-20-8-18-35(3)4)21-27(25)32(36)30(29)26-9-5-6-10-28(26)33-31/h5-6,9-16,21H,7-8,17-20H2,1-4H3
InChIKeyFAAIXZHNURGEJZ-UHFFFAOYSA-N
XLogP5.77
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,6-Dimethoxy-2-{[7-(1,2,3,4-tetrahydro-acridin-9-ylamino)-heptylamino]-methyl}-indan-1-one
CID 10075220
2,3-Dimethylphenyl 2-(4-methoxyphenyl)-4-quinolinecarboxylate
CID 1739332
2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
CID 1540951
[2-(4-Ethoxyphenyl)quinolin-4-yl](pyrrolidin-1-yl)methanone
CID 757764
2-[2-methyl-1-[2-methyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-3-yl]acetic acid
CID 10299717
9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]piperidin-1-yl}propyl)amino]-1,2,3,4-tetrahydroacridine dihydrochloride
CID 24881877
3,4-Dimethylphenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 1739333
2,3-Dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 2107723
3-Methylphenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2338477
Ethyl 1-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 3382735
9-[3-(Dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one
CID 44603353
2,9-Bis(3-(dimethylamino)propoxy)-6-(4-(3-(dimethylamino)propoxy)phenyl)-11h-indeno[1,2-c]-quinolin-11-one
CID 44603354

Frequently Asked Questions

What is the IUPAC name of 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one?
The IUPAC name of 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one (CID 46228179) is 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one?
The canonical SMILES for 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one is CN(C)CCCOc1ccc(-c2nc3ccccc3c3c2-c2ccc(OCCCN(C)C)cc2C3=O)cc1.
What is the InChIKey of 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one?
The InChIKey is FAAIXZHNURGEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3/c1-34(2)17-7-19-37-23-13-11-22(12-14-23)31-29-25-16-15-24(38-20-8-18-35(3)4)21-27(25)32(36)30(29)26-9-5-6-10-28(26)33-31/h5-6,9-16,21H,7-8,17-20H2,1-4H3.
What are the key properties of 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one?
9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one has a molecular weight of 509.65 g/mol, XLogP of 5.77, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 46228179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).