ethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline

C15H20N2 — CID 142258441

IUPACethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline
SMILESCC.CC1CN=C2C=Cc3ccccc3N2C1
InChIInChI=1S/C13H14N2.C2H6/c1-10-8-14-13-7-6-11-4-2-3-5-12(11)15(13)9-10;1-2/h2-7,10H,8-9H2,1H3;1-2H3
InChIKeyWJWSIRZEPRFBLI-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.59
Rot. Bonds

About ethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline

ethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline (PubChem CID 142258441) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline.

Molecular Properties

Compound Nameethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline
PubChem CID142258441
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Nameethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline
SMILESCC.CC1CN=C2C=Cc3ccccc3N2C1
InChIInChI=1S/C13H14N2.C2H6/c1-10-8-14-13-7-6-11-4-2-3-5-12(11)15(13)9-10;1-2/h2-7,10H,8-9H2,1H3;1-2H3
InChIKeyWJWSIRZEPRFBLI-UHFFFAOYSA-N
XLogP3.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1,2-dihydroimidazo[1,2-a]quinoline;hydrobromide
CID 2797107
(2R)-2-naphthalen-2-yl-1,2-dihydroimidazo[1,2-a]quinoline
CID 11687979
5-methyl-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79505477
(2R)-7-chloro-2-phenyl-1,2-dihydroimidazo[1,2-a]quinoline
CID 11265995
1-(2-fluorophenyl)-5-methyl-4,5-dihydroimidazol-2-amine
CID 79521205
1-[2,6-di(propan-2-yl)phenyl]-2H-quinoline
CID 141304439
1-[2-(bromomethyl)-3-chlorophenyl]-3-methyl-3,4-dihydro-2H-quinoline
CID 107083487
1-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]ethanamine
CID 177222923
1-(2-propan-2-ylphenyl)-2H-quinoline
CID 141304438
benzo[b][1]benzazepine-11-carbonylazanium bromide
CID 139146710
1-(6-chloro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63587479
11-phenylbenzo[b][1]benzazepine
CID 11514559

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline?
The IUPAC name of ethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline (CID 142258441) is ethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline.
What is the SMILES notation for ethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline?
The canonical SMILES for ethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline is CC.CC1CN=C2C=Cc3ccccc3N2C1.
What is the InChIKey of ethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline?
The InChIKey is WJWSIRZEPRFBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C2H6/c1-10-8-14-13-7-6-11-4-2-3-5-12(11)15(13)9-10;1-2/h2-7,10H,8-9H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline?
ethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline has a molecular weight of 228.34 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2,3-dihydro-1H-pyrimido[1,2-a]quinoline is sourced from PubChem (CID 142258441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).