2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde

C14H18N2O2 — CID 174395601

IUPAC2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde
SMILESCCN1CN(CC)C(C(=O)C=O)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-3-15-10-16(4-2)14(13(18)9-17)11-7-5-6-8-12(11)15/h5-9,14H,3-4,10H2,1-2H3
InChIKeyTWYOJLZXOLXDEO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.62
Rot. Bonds4

About 2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde

2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde (PubChem CID 174395601) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde
PubChem CID174395601
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde
SMILESCCN1CN(CC)C(C(=O)C=O)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-3-15-10-16(4-2)14(13(18)9-17)11-7-5-6-8-12(11)15/h5-9,14H,3-4,10H2,1-2H3
InChIKeyTWYOJLZXOLXDEO-UHFFFAOYSA-N
XLogP1.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-bromopropyl)-1,3-dihydroisoindol-1-yl]-2-oxoacetaldehyde
CID 174635800
5,8-diethyl-6,6a,7,12b-tetrahydroquinolino[3,4-c]quinoline
CID 3714265
2-[2-(3-chloro-2-hydroxypropyl)-1,3-dihydroisoindol-1-yl]-2-oxoacetaldehyde
CID 175112071
2-(2-iodo-1,3-dihydroisoindol-1-yl)-2-oxoacetaldehyde
CID 174998232
2-[2-(2-ethenoxyethyl)-1,3-dihydroisoindol-1-yl]-2-oxoacetaldehyde
CID 175239330
2-[2-[4-(aminomethyl)-2,6-dibromophenyl]-1,3-dihydroisoindol-1-yl]-2-oxoacetaldehyde
CID 174816183
1,4-diethyl-3,4-dihydro-2H-quinoline
CID 90169118
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 101425318
2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173135351
1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde
CID 117202549
1-(2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
CID 15181609

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde?
The IUPAC name of 2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde (CID 174395601) is 2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde is CCN1CN(CC)C(C(=O)C=O)c2ccccc21.
What is the InChIKey of 2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde?
The InChIKey is TWYOJLZXOLXDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-15-10-16(4-2)14(13(18)9-17)11-7-5-6-8-12(11)15/h5-9,14H,3-4,10H2,1-2H3.
What are the key properties of 2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde?
2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde has a molecular weight of 246.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethyl-2,4-dihydroquinazolin-4-yl)-2-oxoacetaldehyde is sourced from PubChem (CID 174395601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).