6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline

C20H18N2 — CID 10684654

IUPAC6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
SMILESC1=C(/C=C/c2ccccc2)N2CCCN=C2c2ccccc21
InChIInChI=1S/C20H18N2/c1-2-7-16(8-3-1)11-12-18-15-17-9-4-5-10-19(17)20-21-13-6-14-22(18)20/h1-5,7-12,15H,6,13-14H2/b12-11+
InChIKeyVOUSLDSFNNBAMY-VAWYXSNFSA-N
MW286.38 g/mol
LogP4.21
Rot. Bonds2

About 6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline

6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline (PubChem CID 10684654) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline.

Molecular Properties

Compound Name6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
PubChem CID10684654
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
SMILESC1=C(/C=C/c2ccccc2)N2CCCN=C2c2ccccc21
InChIInChI=1S/C20H18N2/c1-2-7-16(8-3-1)11-12-18-15-17-9-4-5-10-19(17)20-21-13-6-14-22(18)20/h1-5,7-12,15H,6,13-14H2/b12-11+
InChIKeyVOUSLDSFNNBAMY-VAWYXSNFSA-N
XLogP4.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-Fluoro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10015659
1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 945692
SDZ-62-434 free
CID 9801987
(R)-2-Methyl-3-phenethyl-5-phenyl-2,5-dihydro-1H-benzo[e][1,3]diazepine
CID 9884379
5-(4-tert-Butyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10065779
2-Methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine
CID 10472445
3-[1-(2-Ethyl-phenyl)-meth-(E)-ylidene]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-(9Z)-ylideneamine
CID 44391192
6-phenyl-3,4-dihydro-2H-pyrimido[1,2-c]quinazoline
CID 403513
1-[3-(Dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
CID 938946
7-butyl-6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10070778
6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10567444
[4-(7-benzyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane
CID 10669945

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
The IUPAC name of 6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline (CID 10684654) is 6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline.
What is the SMILES notation for 6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
The canonical SMILES for 6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline is C1=C(/C=C/c2ccccc2)N2CCCN=C2c2ccccc21.
What is the InChIKey of 6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
The InChIKey is VOUSLDSFNNBAMY-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H18N2/c1-2-7-16(8-3-1)11-12-18-15-17-9-4-5-10-19(17)20-21-13-6-14-22(18)20/h1-5,7-12,15H,6,13-14H2/b12-11+.
What are the key properties of 6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline has a molecular weight of 286.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline is sourced from PubChem (CID 10684654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).