[4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone

C29H39N3O3 — CID 90185583

IUPAC[4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
SMILESCC1(C)CC(c2cccc(N3CCOCC3)c2)Nc2c(C(=O)N3CCC(C(C)(C)O)C3)cccc21
InChIInChI=1S/C29H39N3O3/c1-28(2)18-25(20-7-5-8-22(17-20)31-13-15-35-16-14-31)30-26-23(9-6-10-24(26)28)27(33)32-12-11-21(19-32)29(3,4)34/h5-10,17,21,25,30,34H,11-16,18-19H2,1-4H3
InChIKeyWHFAKUBWPFSPBU-UHFFFAOYSA-N
MW477.65 g/mol
LogP4.59
Rot. Bonds4

About [4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone

[4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 90185583) has the molecular formula C29H39N3O3 and a molecular weight of 477.65 g/mol. Its IUPAC name is [4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID90185583
Molecular FormulaC29H39N3O3
Molecular Weight477.65 g/mol
Exact Mass477.30
IUPAC Name[4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
SMILESCC1(C)CC(c2cccc(N3CCOCC3)c2)Nc2c(C(=O)N3CCC(C(C)(C)O)C3)cccc21
InChIInChI=1S/C29H39N3O3/c1-28(2)18-25(20-7-5-8-22(17-20)31-13-15-35-16-14-31)30-26-23(9-6-10-24(26)28)27(33)32-12-11-21(19-32)29(3,4)34/h5-10,17,21,25,30,34H,11-16,18-19H2,1-4H3
InChIKeyWHFAKUBWPFSPBU-UHFFFAOYSA-N
XLogP4.59
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone (CID 90185583) is [4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone is CC1(C)CC(c2cccc(N3CCOCC3)c2)Nc2c(C(=O)N3CCC(C(C)(C)O)C3)cccc21.
What is the InChIKey of [4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is WHFAKUBWPFSPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O3/c1-28(2)18-25(20-7-5-8-22(17-20)31-13-15-35-16-14-31)30-26-23(9-6-10-24(26)28)27(33)32-12-11-21(19-32)29(3,4)34/h5-10,17,21,25,30,34H,11-16,18-19H2,1-4H3.
What are the key properties of [4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
[4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 477.65 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinolin-8-yl]-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 90185583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).