N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C20H19N3O2 — CID 135901559

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCc2ccccc21
InChIInChI=1S/C20H19N3O2/c24-19(22-17-10-9-13-5-1-2-6-14(13)17)12-11-18-21-16-8-4-3-7-15(16)20(25)23-18/h1-8,17H,9-12H2,(H,22,24)(H,21,23,25)/t17-/m0/s1
InChIKeyLFKGAPOWIHFKHP-KRWDZBQOSA-N
MW333.39 g/mol
LogP2.66
Rot. Bonds4

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135901559) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135901559
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCc2ccccc21
InChIInChI=1S/C20H19N3O2/c24-19(22-17-10-9-13-5-1-2-6-14(13)17)12-11-18-21-16-8-4-3-7-15(16)20(25)23-18/h1-8,17H,9-12H2,(H,22,24)(H,21,23,25)/t17-/m0/s1
InChIKeyLFKGAPOWIHFKHP-KRWDZBQOSA-N
XLogP2.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135901559) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCc2ccccc21.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is LFKGAPOWIHFKHP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-19(22-17-10-9-13-5-1-2-6-14(13)17)12-11-18-21-16-8-4-3-7-15(16)20(25)23-18/h1-8,17H,9-12H2,(H,22,24)(H,21,23,25)/t17-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 333.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135901559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).