2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone

C21H23N5O3 — CID 91057594

IUPAC2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone
SMILESCCNc1ccc(C(=O)CC2=Nc3cc(OC)c(OC)cc3C3=NCCN23)cn1
InChIInChI=1S/C21H23N5O3/c1-4-22-19-6-5-13(12-24-19)16(27)11-20-25-15-10-18(29-3)17(28-2)9-14(15)21-23-7-8-26(20)21/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,22,24)
InChIKeyKIVPVPGRFGJOMB-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.91
Rot. Bonds7

About 2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone

2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone (PubChem CID 91057594) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone
PubChem CID91057594
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone
SMILESCCNc1ccc(C(=O)CC2=Nc3cc(OC)c(OC)cc3C3=NCCN23)cn1
InChIInChI=1S/C21H23N5O3/c1-4-22-19-6-5-13(12-24-19)16(27)11-20-25-15-10-18(29-3)17(28-2)9-14(15)21-23-7-8-26(20)21/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,22,24)
InChIKeyKIVPVPGRFGJOMB-UHFFFAOYSA-N
XLogP2.91
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone?
The IUPAC name of 2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone (CID 91057594) is 2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone?
The canonical SMILES for 2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone is CCNc1ccc(C(=O)CC2=Nc3cc(OC)c(OC)cc3C3=NCCN23)cn1.
What is the InChIKey of 2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone?
The InChIKey is KIVPVPGRFGJOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-4-22-19-6-5-13(12-24-19)16(27)11-20-25-15-10-18(29-3)17(28-2)9-14(15)21-23-7-8-26(20)21/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,22,24).
What are the key properties of 2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone?
2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone has a molecular weight of 393.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-[6-(ethylamino)-3-pyridinyl]ethanone is sourced from PubChem (CID 91057594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).