6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline

C20H27N5O2 — CID 141053802

IUPAC6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline
SMILESCOc1cc2c(cc1OC)NC(N1CCc3c(ncn3CC(C)C)C1)N=C2
InChIInChI=1S/C20H27N5O2/c1-13(2)10-25-12-22-16-11-24(6-5-17(16)25)20-21-9-14-7-18(26-3)19(27-4)8-15(14)23-20/h7-9,12-13,20,23H,5-6,10-11H2,1-4H3
InChIKeyFGXXFDGLSIWZEJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.74
Rot. Bonds5

About 6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline

6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline (PubChem CID 141053802) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline
PubChem CID141053802
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline
SMILESCOc1cc2c(cc1OC)NC(N1CCc3c(ncn3CC(C)C)C1)N=C2
InChIInChI=1S/C20H27N5O2/c1-13(2)10-25-12-22-16-11-24(6-5-17(16)25)20-21-9-14-7-18(26-3)19(27-4)8-15(14)23-20/h7-9,12-13,20,23H,5-6,10-11H2,1-4H3
InChIKeyFGXXFDGLSIWZEJ-UHFFFAOYSA-N
XLogP2.74
TPSA63.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline?
The IUPAC name of 6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline (CID 141053802) is 6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline.
What is the SMILES notation for 6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline?
The canonical SMILES for 6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline is COc1cc2c(cc1OC)NC(N1CCc3c(ncn3CC(C)C)C1)N=C2.
What is the InChIKey of 6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline?
The InChIKey is FGXXFDGLSIWZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13(2)10-25-12-22-16-11-24(6-5-17(16)25)20-21-9-14-7-18(26-3)19(27-4)8-15(14)23-20/h7-9,12-13,20,23H,5-6,10-11H2,1-4H3.
What are the key properties of 6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline?
6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline has a molecular weight of 369.47 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1,2-dihydroquinazoline is sourced from PubChem (CID 141053802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).