5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione

C19H24N2O2 — CID 20897573

IUPAC5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCCCn1c(=O)[nH]c2c(c1=O)C(CC)(CC)Cc1ccccc1-2
InChIInChI=1S/C19H24N2O2/c1-4-11-21-17(22)15-16(20-18(21)23)14-10-8-7-9-13(14)12-19(15,5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,20,23)
InChIKeyBSOGGKBPMXMKSQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.23
Rot. Bonds4

About 5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione

5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione (PubChem CID 20897573) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
PubChem CID20897573
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCCCn1c(=O)[nH]c2c(c1=O)C(CC)(CC)Cc1ccccc1-2
InChIInChI=1S/C19H24N2O2/c1-4-11-21-17(22)15-16(20-18(21)23)14-10-8-7-9-13(14)12-19(15,5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,20,23)
InChIKeyBSOGGKBPMXMKSQ-UHFFFAOYSA-N
XLogP3.23
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897631
(5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 92500350
(5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 26823784
(5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 26823715
3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897586
3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897609
3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one
CID 702333
5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 39841289
2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one
CID 135413587
3-[2-(3-iodopropoxy)ethyl]-5,5-dimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one
CID 134257148
5-methyl-3-propyl-1H-quinazoline-2,4-dione
CID 117261036
5,5-diethyl-2-(2-hydroxyethylamino)-3,6-dihydrobenzo[h]quinazolin-4-one
CID 135463186

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The IUPAC name of 5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione (CID 20897573) is 5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione is CCCn1c(=O)[nH]c2c(c1=O)C(CC)(CC)Cc1ccccc1-2.
What is the InChIKey of 5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The InChIKey is BSOGGKBPMXMKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-11-21-17(22)15-16(20-18(21)23)14-10-8-7-9-13(14)12-19(15,5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,20,23).
What are the key properties of 5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione has a molecular weight of 312.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione is sourced from PubChem (CID 20897573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).