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

C17H16ClN5O — CID 161471816

IUPACN-[(3R)-3-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;hydrochloride
SMILESC[C@@H]1CNc2c3ccccc3n/c(=N\C(=O)c3cccnc3)n21.Cl
InChIInChI=1S/C17H15N5O.ClH/c1-11-9-19-15-13-6-2-3-7-14(13)20-17(22(11)15)21-16(23)12-5-4-8-18-10-12;/h2-8,10-11,19H,9H2,1H3;1H/b21-17+;/t11-;/m1./s1
InChIKeyPASVBLCUBMIBAA-JTTYGGKISA-N
MW341.80 g/mol
LogP2.58
Rot. Bonds1

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

N-[(3R)-3-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;hydrochloride (PubChem CID 161471816) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[(3R)-3-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R)-3-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;hydrochloride
PubChem CID161471816
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC NameN-[(3R)-3-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;hydrochloride
SMILESC[C@@H]1CNc2c3ccccc3n/c(=N\C(=O)c3cccnc3)n21.Cl
InChIInChI=1S/C17H15N5O.ClH/c1-11-9-19-15-13-6-2-3-7-14(13)20-17(22(11)15)21-16(23)12-5-4-8-18-10-12;/h2-8,10-11,19H,9H2,1H3;1H/b21-17+;/t11-;/m1./s1
InChIKeyPASVBLCUBMIBAA-JTTYGGKISA-N
XLogP2.58
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3R)-3-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;hydrochloride (CID 161471816) is N-[(3R)-3-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3R)-3-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3R)-3-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;hydrochloride is C[C@@H]1CNc2c3ccccc3n/c(=N\C(=O)c3cccnc3)n21.Cl.
What is the InChIKey of N-[(3R)-3-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;hydrochloride?
The InChIKey is PASVBLCUBMIBAA-JTTYGGKISA-N. The full InChI is InChI=1S/C17H15N5O.ClH/c1-11-9-19-15-13-6-2-3-7-14(13)20-17(22(11)15)21-16(23)12-5-4-8-18-10-12;/h2-8,10-11,19H,9H2,1H3;1H/b21-17+;/t11-;/m1./s1.
What are the key properties of N-[(3R)-3-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;hydrochloride?
N-[(3R)-3-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;hydrochloride has a molecular weight of 341.80 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 161471816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).