7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride

C15H20Cl2N4O — CID 135418419

IUPAC7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CN2Cc3cc(N4CCCCC4)ccc3N=C2N1
InChIInChI=1S/C15H18N4O.2ClH/c20-14-10-19-9-11-8-12(18-6-2-1-3-7-18)4-5-13(11)16-15(19)17-14;;/h4-5,8H,1-3,6-7,9-10H2,(H,16,17,20);2*1H
InChIKeyCRIIVEDXIRIPQT-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.45
Rot. Bonds1

About 7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride

7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride (PubChem CID 135418419) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is 7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride.

Molecular Properties

Compound Name7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride
PubChem CID135418419
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC Name7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CN2Cc3cc(N4CCCCC4)ccc3N=C2N1
InChIInChI=1S/C15H18N4O.2ClH/c20-14-10-19-9-11-8-12(18-6-2-1-3-7-18)4-5-13(11)16-15(19)17-14;;/h4-5,8H,1-3,6-7,9-10H2,(H,16,17,20);2*1H
InChIKeyCRIIVEDXIRIPQT-UHFFFAOYSA-N
XLogP2.45
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1,5-Dihydro-7-(1-piperidinyl)-imidazo(2,1-b)quinazolin-2(3H)-one
CID 135410273
6-Methyl-1,2,3,5-tetrahydroimidazo(2,1-b)quinazolin-2-one hydrochloride
CID 135492314
BL-3459 free base
CID 135449336
7-Iodo-3,5-dihydroimidazo[2,1-b]quinazolin-2(1H)-one
CID 135583531
(1E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(3-methylphenyl)urea
CID 136106112
3-Allyl-2-(2,5-dimethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 6602624
8-chloro-7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002130
8-methyl-7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002151
Imidazo[2,1-b]quinazolin-2(3H)-one, 1,5-dihydro-
CID 135485711
7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135621703
7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002127
N-(2,5-Dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-YL)-6-oxo-1,6-dihydropyrimidin-1-YL]acetamide
CID 91904058

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride?
The IUPAC name of 7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride (CID 135418419) is 7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride.
What is the SMILES notation for 7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride?
The canonical SMILES for 7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride is Cl.Cl.O=C1CN2Cc3cc(N4CCCCC4)ccc3N=C2N1.
What is the InChIKey of 7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride?
The InChIKey is CRIIVEDXIRIPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.2ClH/c20-14-10-19-9-11-8-12(18-6-2-1-3-7-18)4-5-13(11)16-15(19)17-14;;/h4-5,8H,1-3,6-7,9-10H2,(H,16,17,20);2*1H.
What are the key properties of 7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride?
7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride has a molecular weight of 343.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;dihydrochloride is sourced from PubChem (CID 135418419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).