N-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride

C21H23ClN6O — CID 162315337

IUPACN-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(/N=c1\nc2cc(N3CCCCC3)ccc2c2n1CCN2)c1cccnc1
InChIInChI=1S/C21H22N6O.ClH/c28-20(15-5-4-8-22-14-15)25-21-24-18-13-16(26-10-2-1-3-11-26)6-7-17(18)19-23-9-12-27(19)21;/h4-8,13-14,23H,1-3,9-12H2;1H/b25-21+;
InChIKeyUJNLIRJNBJNWIS-JMFMGIQESA-N
MW410.91 g/mol
LogP3.01
Rot. Bonds2

About N-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride

N-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride (PubChem CID 162315337) has the molecular formula C21H23ClN6O and a molecular weight of 410.91 g/mol. Its IUPAC name is N-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride
PubChem CID162315337
Molecular FormulaC21H23ClN6O
Molecular Weight410.91 g/mol
Exact Mass410.16
IUPAC NameN-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(/N=c1\nc2cc(N3CCCCC3)ccc2c2n1CCN2)c1cccnc1
InChIInChI=1S/C21H22N6O.ClH/c28-20(15-5-4-8-22-14-15)25-21-24-18-13-16(26-10-2-1-3-11-26)6-7-17(18)19-23-9-12-27(19)21;/h4-8,13-14,23H,1-3,9-12H2;1H/b25-21+;
InChIKeyUJNLIRJNBJNWIS-JMFMGIQESA-N
XLogP3.01
TPSA75.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride (CID 162315337) is N-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride is Cl.O=C(/N=c1\nc2cc(N3CCCCC3)ccc2c2n1CCN2)c1cccnc1.
What is the InChIKey of N-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride?
The InChIKey is UJNLIRJNBJNWIS-JMFMGIQESA-N. The full InChI is InChI=1S/C21H22N6O.ClH/c28-20(15-5-4-8-22-14-15)25-21-24-18-13-16(26-10-2-1-3-11-26)6-7-17(18)19-23-9-12-27(19)21;/h4-8,13-14,23H,1-3,9-12H2;1H/b25-21+;.
What are the key properties of N-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride?
N-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride has a molecular weight of 410.91 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-piperidin-1-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 162315337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).