(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone

C22H26N2O2S — CID 55940972

IUPAC(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C22H26N2O2S/c1-15(2)16-9-10-18-17(14-16)6-3-11-23(18)21(25)19-7-4-12-24(19)22(26)20-8-5-13-27-20/h5,8-10,13-15,19H,3-4,6-7,11-12H2,1-2H3/t19-/m0/s1
InChIKeyJWHPSSDZDDTHAM-IBGZPJMESA-N
MW382.53 g/mol
LogP4.46
Rot. Bonds3

About (6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone

(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 55940972) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is (6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID55940972
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C22H26N2O2S/c1-15(2)16-9-10-18-17(14-16)6-3-11-23(18)21(25)19-7-4-12-24(19)22(26)20-8-5-13-27-20/h5,8-10,13-15,19H,3-4,6-7,11-12H2,1-2H3/t19-/m0/s1
InChIKeyJWHPSSDZDDTHAM-IBGZPJMESA-N
XLogP4.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of (6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone (CID 55940972) is (6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for (6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for (6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone is CC(C)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is JWHPSSDZDDTHAM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-15(2)16-9-10-18-17(14-16)6-3-11-23(18)21(25)19-7-4-12-24(19)22(26)20-8-5-13-27-20/h5,8-10,13-15,19H,3-4,6-7,11-12H2,1-2H3/t19-/m0/s1.
What are the key properties of (6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 382.53 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 55940972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).