N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C23H25N3O4 — CID 137192277

IUPACN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)CCCc1nc3ccccc3c(=O)[nH]1)CC2
InChIInChI=1S/C23H25N3O4/c1-29-19-12-14-10-11-18(16(14)13-20(19)30-2)25-22(27)9-5-8-21-24-17-7-4-3-6-15(17)23(28)26-21/h3-4,6-7,12-13,18H,5,8-11H2,1-2H3,(H,25,27)(H,24,26,28)
InChIKeyWRNUMPOZNRNREP-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.07
Rot. Bonds7

About N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 137192277) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID137192277
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)CCCc1nc3ccccc3c(=O)[nH]1)CC2
InChIInChI=1S/C23H25N3O4/c1-29-19-12-14-10-11-18(16(14)13-20(19)30-2)25-22(27)9-5-8-21-24-17-7-4-3-6-15(17)23(28)26-21/h3-4,6-7,12-13,18H,5,8-11H2,1-2H3,(H,25,27)(H,24,26,28)
InChIKeyWRNUMPOZNRNREP-UHFFFAOYSA-N
XLogP3.07
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135886882
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135890799
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide
CID 125429552
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135904863
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782885
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
N-[(2,4-dimethoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303370
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide
CID 125430344
4-ethyl-1-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]cyclohexane-1-carboxylic acid
CID 137133644
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137007145
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570299
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135927606

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 137192277) is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is COc1cc2c(cc1OC)C(NC(=O)CCCc1nc3ccccc3c(=O)[nH]1)CC2.
What is the InChIKey of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is WRNUMPOZNRNREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-29-19-12-14-10-11-18(16(14)13-20(19)30-2)25-22(27)9-5-8-21-24-17-7-4-3-6-15(17)23(28)26-21/h3-4,6-7,12-13,18H,5,8-11H2,1-2H3,(H,25,27)(H,24,26,28).
What are the key properties of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 407.47 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 137192277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).