N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide

C21H21N3O3 — CID 71940191

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCc4ccccc43)ccc2c1=O
InChIInChI=1S/C21H21N3O3/c1-3-24-20(26)16-10-8-14(12-17(16)22-21(24)27)19(25)23(2)18-11-9-13-6-4-5-7-15(13)18/h4-8,10,12,18H,3,9,11H2,1-2H3,(H,22,27)
InChIKeyTVPNCSJCTKDDLE-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.47
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 71940191) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID71940191
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCc4ccccc43)ccc2c1=O
InChIInChI=1S/C21H21N3O3/c1-3-24-20(26)16-10-8-14(12-17(16)22-21(24)27)19(25)23(2)18-11-9-13-6-4-5-7-15(13)18/h4-8,10,12,18H,3,9,11H2,1-2H3,(H,22,27)
InChIKeyTVPNCSJCTKDDLE-UHFFFAOYSA-N
XLogP2.47
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 71940191) is N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)N(C)C3CCc4ccccc43)ccc2c1=O.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is TVPNCSJCTKDDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-24-20(26)16-10-8-14(12-17(16)22-21(24)27)19(25)23(2)18-11-9-13-6-4-5-7-15(13)18/h4-8,10,12,18H,3,9,11H2,1-2H3,(H,22,27).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 71940191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).