3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one

C22H21N3O2 — CID 135939808

IUPAC3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one
SMILESO=C1c2ccccc2-c2c1c(NCCN1CCCC1)nc1cc(O)ccc21
InChIInChI=1S/C22H21N3O2/c26-14-7-8-17-18(13-14)24-22(23-9-12-25-10-3-4-11-25)20-19(17)15-5-1-2-6-16(15)21(20)27/h1-2,5-8,13,26H,3-4,9-12H2,(H,23,24)
InChIKeyARONIKCBFKOXAG-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.66
Rot. Bonds4

About 3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one

3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one (PubChem CID 135939808) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one.

Molecular Properties

Compound Name3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one
PubChem CID135939808
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one
SMILESO=C1c2ccccc2-c2c1c(NCCN1CCCC1)nc1cc(O)ccc21
InChIInChI=1S/C22H21N3O2/c26-14-7-8-17-18(13-14)24-22(23-9-12-25-10-3-4-11-25)20-19(17)15-5-1-2-6-16(15)21(20)27/h1-2,5-8,13,26H,3-4,9-12H2,(H,23,24)
InChIKeyARONIKCBFKOXAG-UHFFFAOYSA-N
XLogP3.66
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one
CID 23448039
1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
CID 106537916
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione
CID 14320115
2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
CID 66904247
1-(2-pyrrolidin-1-ylethylamino)isoquinoline-3-carboxylic acid
CID 62641881
2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
CID 66901625
1-N,4-N-bis[2-(aziridin-1-yl)ethyl]benzo[g]phthalazine-1,4-diamine
CID 19811426
4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine
CID 60659900
1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
CID 3959118
3-(1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 142652425
12-(azepan-1-yl)-10-(2-piperidin-1-ylethylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
CID 20867988

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one?
The IUPAC name of 3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one (CID 135939808) is 3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one.
What is the SMILES notation for 3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one?
The canonical SMILES for 3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one is O=C1c2ccccc2-c2c1c(NCCN1CCCC1)nc1cc(O)ccc21.
What is the InChIKey of 3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one?
The InChIKey is ARONIKCBFKOXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-14-7-8-17-18(13-14)24-22(23-9-12-25-10-3-4-11-25)20-19(17)15-5-1-2-6-16(15)21(20)27/h1-2,5-8,13,26H,3-4,9-12H2,(H,23,24).
What are the key properties of 3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one?
3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one has a molecular weight of 359.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(2-pyrrolidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one is sourced from PubChem (CID 135939808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).