3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

C26H28N4O4 — CID 135932215

IUPAC3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESO=C1Nc2ccccc2C[C@@H]1CCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1
InChIInChI=1S/C26H28N4O4/c31-24(12-11-18-14-17-6-1-3-9-21(17)28-25(18)32)30(15-19-7-5-13-34-19)16-23-27-22-10-4-2-8-20(22)26(33)29-23/h1-4,6,8-10,18-19H,5,7,11-16H2,(H,28,32)(H,27,29,33)/t18-,19+/m0/s1
InChIKeyJPTXFHQFVVNUIO-RBUKOAKNSA-N
MW460.53 g/mol
LogP3.02
Rot. Bonds7

About 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135932215) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
PubChem CID135932215
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESO=C1Nc2ccccc2C[C@@H]1CCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1
InChIInChI=1S/C26H28N4O4/c31-24(12-11-18-14-17-6-1-3-9-21(17)28-25(18)32)30(15-19-7-5-13-34-19)16-23-27-22-10-4-2-8-20(22)26(33)29-23/h1-4,6,8-10,18-19H,5,7,11-16H2,(H,28,32)(H,27,29,33)/t18-,19+/m0/s1
InChIKeyJPTXFHQFVVNUIO-RBUKOAKNSA-N
XLogP3.02
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135949301
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenoxyacetamide
CID 135830344
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,2-diphenylacetamide
CID 136772433
N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide
CID 135569912
N-(1,3-benzothiazol-2-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 31765132
2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135891120
2-(3,4-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135722333
N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 135587848
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 135954454
(3S)-3-acetamido-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
CID 135958561
3-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135722369
5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 135616548

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The IUPAC name of 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135932215) is 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The canonical SMILES for 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is O=C1Nc2ccccc2C[C@@H]1CCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1.
What is the InChIKey of 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The InChIKey is JPTXFHQFVVNUIO-RBUKOAKNSA-N. The full InChI is InChI=1S/C26H28N4O4/c31-24(12-11-18-14-17-6-1-3-9-21(17)28-25(18)32)30(15-19-7-5-13-34-19)16-23-27-22-10-4-2-8-20(22)26(33)29-23/h1-4,6,8-10,18-19H,5,7,11-16H2,(H,28,32)(H,27,29,33)/t18-,19+/m0/s1.
What are the key properties of 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 460.53 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135932215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).