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

C22H23N3O2 — CID 137296710

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCN(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)C1CCc2ccccc21
InChIInChI=1S/C22H23N3O2/c1-25(19-14-13-15-7-2-3-8-16(15)19)21(26)12-6-11-20-23-18-10-5-4-9-17(18)22(27)24-20/h2-5,7-10,19H,6,11-14H2,1H3,(H,23,24,27)
InChIKeyOOKZOMCRZFTUFE-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.39
Rot. Bonds5

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

N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 137296710) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID137296710
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCN(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)C1CCc2ccccc21
InChIInChI=1S/C22H23N3O2/c1-25(19-14-13-15-7-2-3-8-16(15)19)21(26)12-6-11-20-23-18-10-5-4-9-17(18)22(27)24-20/h2-5,7-10,19H,6,11-14H2,1H3,(H,23,24,27)
InChIKeyOOKZOMCRZFTUFE-UHFFFAOYSA-N
XLogP3.39
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide with MolForge

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Related Compounds

2-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-3H-quinazolin-4-one
CID 135914752
2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one
CID 135718756
N-(2,3-dihydro-1H-inden-1-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135886882
N-(1-aminopropan-2-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137122484
2-[2-methylpropyl-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]acetic acid
CID 136990420
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782885
2-[4-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136545155
N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide
CID 135976954
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137278099
4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide
CID 137306035
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135890799
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137192277

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 137296710) is N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide is CN(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is OOKZOMCRZFTUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25(19-14-13-15-7-2-3-8-16(15)19)21(26)12-6-11-20-23-18-10-5-4-9-17(18)22(27)24-20/h2-5,7-10,19H,6,11-14H2,1H3,(H,23,24,27).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 361.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 137296710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).