2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone

C25H29N5O3 — CID 91167406

IUPAC2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone
SMILESCOc1c(OCCN2CCCCC2)ccc2c1N=C(CC(=O)c1cccnc1)N1CCN=C21
InChIInChI=1S/C25H29N5O3/c1-32-24-21(33-15-14-29-11-3-2-4-12-29)8-7-19-23(24)28-22(30-13-10-27-25(19)30)16-20(31)18-6-5-9-26-17-18/h5-9,17H,2-4,10-16H2,1H3
InChIKeyHBSHNJMZBKOPOX-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.33
Rot. Bonds8

About 2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone

2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone (PubChem CID 91167406) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone
PubChem CID91167406
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone
SMILESCOc1c(OCCN2CCCCC2)ccc2c1N=C(CC(=O)c1cccnc1)N1CCN=C21
InChIInChI=1S/C25H29N5O3/c1-32-24-21(33-15-14-29-11-3-2-4-12-29)8-7-19-23(24)28-22(30-13-10-27-25(19)30)16-20(31)18-6-5-9-26-17-18/h5-9,17H,2-4,10-16H2,1H3
InChIKeyHBSHNJMZBKOPOX-UHFFFAOYSA-N
XLogP3.33
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone?
The IUPAC name of 2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone (CID 91167406) is 2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone?
The canonical SMILES for 2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone is COc1c(OCCN2CCCCC2)ccc2c1N=C(CC(=O)c1cccnc1)N1CCN=C21.
What is the InChIKey of 2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone?
The InChIKey is HBSHNJMZBKOPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-32-24-21(33-15-14-29-11-3-2-4-12-29)8-7-19-23(24)28-22(30-13-10-27-25(19)30)16-20(31)18-6-5-9-26-17-18/h5-9,17H,2-4,10-16H2,1H3.
What are the key properties of 2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone?
2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone has a molecular weight of 447.54 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone is sourced from PubChem (CID 91167406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).