4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride

C23H21Cl3N4O2 — CID 67970814

IUPAC4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride
SMILESCl.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)nc31)CNCC2
InChIInChI=1S/C23H20Cl2N4O2.ClH/c1-28-20-6-8-26-12-18(20)17-4-5-21(27-23(17)28)29-9-7-16(11-22(29)30)31-13-14-2-3-15(24)10-19(14)25;/h2-5,7,9-11,26H,6,8,12-13H2,1H3;1H
InChIKeyRBMLFVAVVXLQPY-UHFFFAOYSA-N
MW491.81 g/mol
LogP4.68
Rot. Bonds4

About 4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride

4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride (PubChem CID 67970814) has the molecular formula C23H21Cl3N4O2 and a molecular weight of 491.81 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride
PubChem CID67970814
Molecular FormulaC23H21Cl3N4O2
Molecular Weight491.81 g/mol
Exact Mass490.07
IUPAC Name4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride
SMILESCl.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)nc31)CNCC2
InChIInChI=1S/C23H20Cl2N4O2.ClH/c1-28-20-6-8-26-12-18(20)17-4-5-21(27-23(17)28)29-9-7-16(11-22(29)30)31-13-14-2-3-15(24)10-19(14)25;/h2-5,7,9-11,26H,6,8,12-13H2,1H3;1H
InChIKeyRBMLFVAVVXLQPY-UHFFFAOYSA-N
XLogP4.68
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.81
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride with MolForge

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Related Compounds

4-[(2,4-dichlorophenyl)methoxy]-1-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]indol-8-yl)pyridin-2-one;hydrochloride
CID 66874209
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
CID 66873578
4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane
CID 159970322
4-(5-methyl-2-pyridinyl)-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
CID 70805179
3-[(4-chloro-2-fluorophenyl)methoxy]-1-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]indol-8-yl)pyridin-2-one
CID 123890661
1-[5-(ethoxymethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;hydrochloride
CID 68657398
4-(2,3-dihydroimidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one
CID 70583637
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride
CID 86721508
4-phenylmethoxy-1-(1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridin-8-yl)pyridin-2-one;hydrochloride
CID 90199081
1-(2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepin-8-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]methoxy]pyridin-2-one
CID 76900554
1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one
CID 16657539
bis(4-(4-chlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one
CID 160937553

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride?
The IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride (CID 67970814) is 4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride is Cl.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)nc31)CNCC2.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride?
The InChIKey is RBMLFVAVVXLQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O2.ClH/c1-28-20-6-8-26-12-18(20)17-4-5-21(27-23(17)28)29-9-7-16(11-22(29)30)31-13-14-2-3-15(24)10-19(14)25;/h2-5,7,9-11,26H,6,8,12-13H2,1H3;1H.
What are the key properties of 4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride?
4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride has a molecular weight of 491.81 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methoxy]-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one;hydrochloride is sourced from PubChem (CID 67970814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).