[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride

C25H27ClN2O4 — CID 19600165

IUPAC[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccccc1C(=O)c1ccc(C(=O)N2CCc3cc(CN(C)C)oc3C2)cc1.Cl
InChIInChI=1S/C25H26N2O4.ClH/c1-26(2)15-20-14-19-12-13-27(16-23(19)31-20)25(29)18-10-8-17(9-11-18)24(28)21-6-4-5-7-22(21)30-3;/h4-11,14H,12-13,15-16H2,1-3H3;1H
InChIKeyBVVYRIXFAWXEHV-UHFFFAOYSA-N
MW454.95 g/mol
LogP4.20
Rot. Bonds6

About [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride

[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride (PubChem CID 19600165) has the molecular formula C25H27ClN2O4 and a molecular weight of 454.95 g/mol. Its IUPAC name is [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride
PubChem CID19600165
Molecular FormulaC25H27ClN2O4
Molecular Weight454.95 g/mol
Exact Mass454.17
IUPAC Name[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccccc1C(=O)c1ccc(C(=O)N2CCc3cc(CN(C)C)oc3C2)cc1.Cl
InChIInChI=1S/C25H26N2O4.ClH/c1-26(2)15-20-14-19-12-13-27(16-23(19)31-20)25(29)18-10-8-17(9-11-18)24(28)21-6-4-5-7-22(21)30-3;/h4-11,14H,12-13,15-16H2,1-3H3;1H
InChIKeyBVVYRIXFAWXEHV-UHFFFAOYSA-N
XLogP4.20
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.95
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride?
The IUPAC name of [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride (CID 19600165) is [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride is COc1ccccc1C(=O)c1ccc(C(=O)N2CCc3cc(CN(C)C)oc3C2)cc1.Cl.
What is the InChIKey of [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride?
The InChIKey is BVVYRIXFAWXEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4.ClH/c1-26(2)15-20-14-19-12-13-27(16-23(19)31-20)25(29)18-10-8-17(9-11-18)24(28)21-6-4-5-7-22(21)30-3;/h4-11,14H,12-13,15-16H2,1-3H3;1H.
What are the key properties of [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride?
[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride has a molecular weight of 454.95 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 19600165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).