2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile

C13H11N3 — CID 177401459

IUPAC2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile
SMILESN#CC1=Cc2ccccc2N2CCCN=C12
InChIInChI=1S/C13H11N3/c14-9-11-8-10-4-1-2-5-12(10)16-7-3-6-15-13(11)16/h1-2,4-5,8H,3,6-7H2
InChIKeyZGQRVGFCUUPXSB-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.22
Rot. Bonds

About 2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile

2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile (PubChem CID 177401459) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile
PubChem CID177401459
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile
SMILESN#CC1=Cc2ccccc2N2CCCN=C12
InChIInChI=1S/C13H11N3/c14-9-11-8-10-4-1-2-5-12(10)16-7-3-6-15-13(11)16/h1-2,4-5,8H,3,6-7H2
InChIKeyZGQRVGFCUUPXSB-UHFFFAOYSA-N
XLogP2.22
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dihydro-1H-imidazo[1,2-a]quinoxalin-4-one
CID 105442499
2-[4-(2,3,4,5-tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-11-ylmethyl)phenyl]benzonitrile
CID 155548591
2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,10,12,14-hexaene-5-carbonitrile
CID 19902182
5-naphthalen-1-yl-6-oxido-2,3-dihydro-1H-pyrimido[1,2-a]quinoxalin-6-ium
CID 122226628
10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 653244
10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
CID 6603340
10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 155569158
10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride
CID 53313935
2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 21297635
spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one
CID 56957582
18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one
CID 21400393
10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 711733

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile?
The IUPAC name of 2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile (CID 177401459) is 2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile.
What is the SMILES notation for 2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile?
The canonical SMILES for 2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile is N#CC1=Cc2ccccc2N2CCCN=C12.
What is the InChIKey of 2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile?
The InChIKey is ZGQRVGFCUUPXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-9-11-8-10-4-1-2-5-12(10)16-7-3-6-15-13(11)16/h1-2,4-5,8H,3,6-7H2.
What are the key properties of 2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile?
2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile has a molecular weight of 209.25 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile is sourced from PubChem (CID 177401459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).