2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone

C20H21N5O3 — CID 66595074

IUPAC2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone
SMILESCNc1ccc(C(=O)C=C2Nc3cc(OC)c(OC)cc3C3=NCCN23)cn1
InChIInChI=1S/C20H21N5O3/c1-21-18-5-4-12(11-23-18)15(26)10-19-24-14-9-17(28-3)16(27-2)8-13(14)20-22-6-7-25(19)20/h4-5,8-11,24H,6-7H2,1-3H3,(H,21,23)
InChIKeyCDSVFUGVGRJMPP-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.35
Rot. Bonds5

About 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone

2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone (PubChem CID 66595074) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone
PubChem CID66595074
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone
SMILESCNc1ccc(C(=O)C=C2Nc3cc(OC)c(OC)cc3C3=NCCN23)cn1
InChIInChI=1S/C20H21N5O3/c1-21-18-5-4-12(11-23-18)15(26)10-19-24-14-9-17(28-3)16(27-2)8-13(14)20-22-6-7-25(19)20/h4-5,8-11,24H,6-7H2,1-3H3,(H,21,23)
InChIKeyCDSVFUGVGRJMPP-UHFFFAOYSA-N
XLogP2.35
TPSA88.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone?
The IUPAC name of 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone (CID 66595074) is 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone?
The canonical SMILES for 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone is CNc1ccc(C(=O)C=C2Nc3cc(OC)c(OC)cc3C3=NCCN23)cn1.
What is the InChIKey of 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone?
The InChIKey is CDSVFUGVGRJMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-21-18-5-4-12(11-23-18)15(26)10-19-24-14-9-17(28-3)16(27-2)8-13(14)20-22-6-7-25(19)20/h4-5,8-11,24H,6-7H2,1-3H3,(H,21,23).
What are the key properties of 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone?
2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone has a molecular weight of 379.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone is sourced from PubChem (CID 66595074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).