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

C21H21N3O2 — CID 135901560

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C21H21N3O2/c25-20(23-18-13-12-14-6-1-2-7-15(14)18)11-5-10-19-22-17-9-4-3-8-16(17)21(26)24-19/h1-4,6-9,18H,5,10-13H2,(H,23,25)(H,22,24,26)/t18-/m1/s1
InChIKeyWBMCWVNIVPRCRG-GOSISDBHSA-N
MW347.42 g/mol
LogP3.05
Rot. Bonds5

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

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135901560) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135901560
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C21H21N3O2/c25-20(23-18-13-12-14-6-1-2-7-15(14)18)11-5-10-19-22-17-9-4-3-8-16(17)21(26)24-19/h1-4,6-9,18H,5,10-13H2,(H,23,25)(H,22,24,26)/t18-/m1/s1
InChIKeyWBMCWVNIVPRCRG-GOSISDBHSA-N
XLogP3.05
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135901560) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCc2ccccc21.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is WBMCWVNIVPRCRG-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(23-18-13-12-14-6-1-2-7-15(14)18)11-5-10-19-22-17-9-4-3-8-16(17)21(26)24-19/h1-4,6-9,18H,5,10-13H2,(H,23,25)(H,22,24,26)/t18-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 347.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135901560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).