1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C19H18ClN5O2 — CID 30088915

IUPAC1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCOc1cc(Cl)c(C)cc1NCc1nnc2n(C)c(=O)c3ccccc3n12
InChIInChI=1S/C19H18ClN5O2/c1-11-8-14(16(27-3)9-13(11)20)21-10-17-22-23-19-24(2)18(26)12-6-4-5-7-15(12)25(17)19/h4-9,21H,10H2,1-3H3
InChIKeyLFDULCPLWLODKO-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.16
Rot. Bonds4

About 1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 30088915) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID30088915
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCOc1cc(Cl)c(C)cc1NCc1nnc2n(C)c(=O)c3ccccc3n12
InChIInChI=1S/C19H18ClN5O2/c1-11-8-14(16(27-3)9-13(11)20)21-10-17-22-23-19-24(2)18(26)12-6-4-5-7-15(12)25(17)19/h4-9,21H,10H2,1-3H3
InChIKeyLFDULCPLWLODKO-UHFFFAOYSA-N
XLogP3.16
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one with MolForge

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Related Compounds

1-[(2-chloro-4-methylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 51224894
4-methyl-1-[[4-(trifluoromethoxy)anilino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 31418027
1-[[3-(hydroxymethyl)anilino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 110879806
4-methyl-1-[[2-methyl-3-(thiomorpholine-4-carbonyl)anilino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 60609626
4-methyl-1-[(2-methylphenyl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 60561386
1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 127031821
(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 30022480
4-chloro-2-methoxy-5-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
CID 107076970
4-methyl-1-[[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 60542379
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline
CID 115884099
3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide
CID 28529683
4-chloro-2-methoxy-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112649973

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 30088915) is 1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is COc1cc(Cl)c(C)cc1NCc1nnc2n(C)c(=O)c3ccccc3n12.
What is the InChIKey of 1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is LFDULCPLWLODKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-11-8-14(16(27-3)9-13(11)20)21-10-17-22-23-19-24(2)18(26)12-6-4-5-7-15(12)25(17)19/h4-9,21H,10H2,1-3H3.
What are the key properties of 1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 383.84 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 30088915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).