2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone

C22H24N6O — CID 91279334

IUPAC2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone
SMILESCN1CCN(c2ccc3c(c2)N=C(CC(=O)c2cccnc2)N2CCN=C32)CC1
InChIInChI=1S/C22H24N6O/c1-26-9-11-27(12-10-26)17-4-5-18-19(13-17)25-21(28-8-7-24-22(18)28)14-20(29)16-3-2-6-23-15-16/h2-6,13,15H,7-12,14H2,1H3
InChIKeyIQIXGRILDDNSAO-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.21
Rot. Bonds4

About 2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone

2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone (PubChem CID 91279334) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone
PubChem CID91279334
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone
SMILESCN1CCN(c2ccc3c(c2)N=C(CC(=O)c2cccnc2)N2CCN=C32)CC1
InChIInChI=1S/C22H24N6O/c1-26-9-11-27(12-10-26)17-4-5-18-19(13-17)25-21(28-8-7-24-22(18)28)14-20(29)16-3-2-6-23-15-16/h2-6,13,15H,7-12,14H2,1H3
InChIKeyIQIXGRILDDNSAO-UHFFFAOYSA-N
XLogP2.21
TPSA64.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone?
The IUPAC name of 2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone (CID 91279334) is 2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone?
The canonical SMILES for 2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone is CN1CCN(c2ccc3c(c2)N=C(CC(=O)c2cccnc2)N2CCN=C32)CC1.
What is the InChIKey of 2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone?
The InChIKey is IQIXGRILDDNSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-26-9-11-27(12-10-26)17-4-5-18-19(13-17)25-21(28-8-7-24-22(18)28)14-20(29)16-3-2-6-23-15-16/h2-6,13,15H,7-12,14H2,1H3.
What are the key properties of 2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone?
2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone has a molecular weight of 388.48 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone is sourced from PubChem (CID 91279334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).