6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione

C23H23N3O3 — CID 166851535

IUPAC6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione
SMILESCC(Cc1ccc2[nH]c(=O)n(C(C)C)c(=O)c2c1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C23H23N3O3/c1-13(2)26-22(28)17-11-15(8-9-20(17)25-23(26)29)10-14(3)18-12-24-19-7-5-4-6-16(19)21(18)27/h4-9,11-14H,10H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyYDMQFLZLSCOGFL-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.46
Rot. Bonds4

About 6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione

6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione (PubChem CID 166851535) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione
PubChem CID166851535
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione
SMILESCC(Cc1ccc2[nH]c(=O)n(C(C)C)c(=O)c2c1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C23H23N3O3/c1-13(2)26-22(28)17-11-15(8-9-20(17)25-23(26)29)10-14(3)18-12-24-19-7-5-4-6-16(19)21(18)27/h4-9,11-14H,10H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyYDMQFLZLSCOGFL-UHFFFAOYSA-N
XLogP3.46
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione
CID 58748031
2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoic acid
CID 3746850
(2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoic acid
CID 29146333
7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261622
6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 117338879
3-(3-chlorobutyl)-1H-quinazoline-2,4-dione
CID 118691448
3-[1-(4-chlorophenyl)ethyl]-1H-quinazoline-2,4-dione
CID 68743777
2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoic acid
CID 15860182
tert-butyl (2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoate
CID 102000912
2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 171138526
2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(4-nitrophenyl)propanoic acid
CID 70276754
(2S)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]propanoic acid
CID 6353140

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione (CID 166851535) is 6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione is CC(Cc1ccc2[nH]c(=O)n(C(C)C)c(=O)c2c1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of 6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione?
The InChIKey is YDMQFLZLSCOGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-13(2)26-22(28)17-11-15(8-9-20(17)25-23(26)29)10-14(3)18-12-24-19-7-5-4-6-16(19)21(18)27/h4-9,11-14H,10H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of 6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione?
6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione has a molecular weight of 389.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-oxo-1H-quinolin-3-yl)propyl]-3-propan-2-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 166851535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).