9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one

C34H35N3O3 — CID 46228169

IUPAC9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
SMILESO=C1c2cc(OCCN3CCCC3)ccc2-c2c(-c3ccc(OCCN4CCCC4)cc3)nc3ccccc3c21
InChIInChI=1S/C34H35N3O3/c38-34-29-23-26(40-22-20-37-17-5-6-18-37)13-14-27(29)31-32(34)28-7-1-2-8-30(28)35-33(31)24-9-11-25(12-10-24)39-21-19-36-15-3-4-16-36/h1-2,7-14,23H,3-6,15-22H2
InChIKeyIHLWDOMUNOPZJF-UHFFFAOYSA-N
MW533.67 g/mol
LogP6.06
Rot. Bonds9

About 9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one

9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one (PubChem CID 46228169) has the molecular formula C34H35N3O3 and a molecular weight of 533.67 g/mol. Its IUPAC name is 9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
PubChem CID46228169
Molecular FormulaC34H35N3O3
Molecular Weight533.67 g/mol
Exact Mass533.27
IUPAC Name9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
SMILESO=C1c2cc(OCCN3CCCC3)ccc2-c2c(-c3ccc(OCCN4CCCC4)cc3)nc3ccccc3c21
InChIInChI=1S/C34H35N3O3/c38-34-29-23-26(40-22-20-37-17-5-6-18-37)13-14-27(29)31-32(34)28-7-1-2-8-30(28)35-33(31)24-9-11-25(12-10-24)39-21-19-36-15-3-4-16-36/h1-2,7-14,23H,3-6,15-22H2
InChIKeyIHLWDOMUNOPZJF-UHFFFAOYSA-N
XLogP6.06
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-[1-[4-[(1-Ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methylindol-3-yl]acetic acid
CID 21893828
2-[1-[4-[[(2R)-1-ethyl-2,3-dihydroindol-2-yl]methoxy]-2-methylbenzoyl]-2-methylindol-3-yl]acetic acid
CID 53358921
2-[2-Methyl-1-[2-methyl-4-[(1-methyl-2,3-dihydroindol-2-yl)methoxy]benzoyl]indol-3-yl]acetic acid
CID 56657974
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
2,9-Bis[2-(pyrrolidin-1-yl)ethoxy]-6-{4-[2-(pyrrolidin-1-yl)ethoxy] phenyl}-11h-indeno[1,2-c]quinoline-11-one
CID 46225759
2,9-Bis(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
CID 46225760
2-Fluoro-9-(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
CID 46228181
6-Ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline
CID 54585821
[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 70696347
4-[(11E)-2-fluoro-9-(2-pyrrolidin-1-ylethoxy)-11-(2-pyrrolidin-1-ylethoxyimino)indeno[1,2-c]quinolin-6-yl]phenol
CID 136126505

Frequently Asked Questions

What is the IUPAC name of 9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The IUPAC name of 9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one (CID 46228169) is 9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The canonical SMILES for 9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one is O=C1c2cc(OCCN3CCCC3)ccc2-c2c(-c3ccc(OCCN4CCCC4)cc3)nc3ccccc3c21.
What is the InChIKey of 9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The InChIKey is IHLWDOMUNOPZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O3/c38-34-29-23-26(40-22-20-37-17-5-6-18-37)13-14-27(29)31-32(34)28-7-1-2-8-30(28)35-33(31)24-9-11-25(12-10-24)39-21-19-36-15-3-4-16-36/h1-2,7-14,23H,3-6,15-22H2.
What are the key properties of 9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one has a molecular weight of 533.67 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 46228169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).