2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide

C25H30N6O3 — CID 153424421

IUPAC2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide
SMILESCOc1c(OCCCN2CCCCC2)ccc2c1N=C(c1ncccc1C(N)=O)N1CCN=C21
InChIInChI=1S/C25H30N6O3/c1-33-22-19(34-16-6-14-30-12-3-2-4-13-30)9-8-18-20(22)29-25(31-15-11-28-24(18)31)21-17(23(26)32)7-5-10-27-21/h5,7-10H,2-4,6,11-16H2,1H3,(H2,26,32)
InChIKeyFUHDCEGSCLAYCB-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.60
Rot. Bonds8

About 2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide

2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide (PubChem CID 153424421) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide
PubChem CID153424421
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide
SMILESCOc1c(OCCCN2CCCCC2)ccc2c1N=C(c1ncccc1C(N)=O)N1CCN=C21
InChIInChI=1S/C25H30N6O3/c1-33-22-19(34-16-6-14-30-12-3-2-4-13-30)9-8-18-20(22)29-25(31-15-11-28-24(18)31)21-17(23(26)32)7-5-10-27-21/h5,7-10H,2-4,6,11-16H2,1H3,(H2,26,32)
InChIKeyFUHDCEGSCLAYCB-UHFFFAOYSA-N
XLogP2.60
TPSA105.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide (CID 153424421) is 2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide is COc1c(OCCCN2CCCCC2)ccc2c1N=C(c1ncccc1C(N)=O)N1CCN=C21.
What is the InChIKey of 2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide?
The InChIKey is FUHDCEGSCLAYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-33-22-19(34-16-6-14-30-12-3-2-4-13-30)9-8-18-20(22)29-25(31-15-11-28-24(18)31)21-17(23(26)32)7-5-10-27-21/h5,7-10H,2-4,6,11-16H2,1H3,(H2,26,32).
What are the key properties of 2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide?
2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-8-(3-piperidin-1-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 153424421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).