3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione

C19H17N3O3 — CID 94032788

IUPAC3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione
SMILESC[C@@H](c1ccc2c(c1)CCC(=O)N2)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C19H17N3O3/c1-11(12-6-8-15-13(10-12)7-9-17(23)20-15)22-18(24)14-4-2-3-5-16(14)21-19(22)25/h2-6,8,10-11H,7,9H2,1H3,(H,20,23)(H,21,25)/t11-/m0/s1
InChIKeyJZXXNSBJBRBCOB-NSHDSACASA-N
MW335.36 g/mol
LogP2.18
Rot. Bonds2

About 3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione

3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione (PubChem CID 94032788) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione
PubChem CID94032788
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione
SMILESC[C@@H](c1ccc2c(c1)CCC(=O)N2)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C19H17N3O3/c1-11(12-6-8-15-13(10-12)7-9-17(23)20-15)22-18(24)14-4-2-3-5-16(14)21-19(22)25/h2-6,8,10-11H,7,9H2,1H3,(H,20,23)(H,21,25)/t11-/m0/s1
InChIKeyJZXXNSBJBRBCOB-NSHDSACASA-N
XLogP2.18
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione (CID 94032788) is 3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione is C[C@@H](c1ccc2c(c1)CCC(=O)N2)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione?
The InChIKey is JZXXNSBJBRBCOB-NSHDSACASA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11(12-6-8-15-13(10-12)7-9-17(23)20-15)22-18(24)14-4-2-3-5-16(14)21-19(22)25/h2-6,8,10-11H,7,9H2,1H3,(H,20,23)(H,21,25)/t11-/m0/s1.
What are the key properties of 3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione?
3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 335.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 94032788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).