8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine

C18H16ClN7O — CID 178009496

IUPAC8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine
SMILESCc1c(Cl)cncc1-c1ccc(OCc2ncn(C)n2)c2c(N)ncnc12
InChIInChI=1S/C18H16ClN7O/c1-10-12(5-21-6-13(10)19)11-3-4-14(16-17(11)22-8-23-18(16)20)27-7-15-24-9-26(2)25-15/h3-6,8-9H,7H2,1-2H3,(H2,20,22,23)
InChIKeyLGZUGXRMCFZAKS-UHFFFAOYSA-N
MW381.83 g/mol
LogP2.94
Rot. Bonds4

About 8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine

8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine (PubChem CID 178009496) has the molecular formula C18H16ClN7O and a molecular weight of 381.83 g/mol. Its IUPAC name is 8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine.

Molecular Properties

Compound Name8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine
PubChem CID178009496
Molecular FormulaC18H16ClN7O
Molecular Weight381.83 g/mol
Exact Mass381.11
IUPAC Name8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine
SMILESCc1c(Cl)cncc1-c1ccc(OCc2ncn(C)n2)c2c(N)ncnc12
InChIInChI=1S/C18H16ClN7O/c1-10-12(5-21-6-13(10)19)11-3-4-14(16-17(11)22-8-23-18(16)20)27-7-15-24-9-26(2)25-15/h3-6,8-9H,7H2,1-2H3,(H2,20,22,23)
InChIKeyLGZUGXRMCFZAKS-UHFFFAOYSA-N
XLogP2.94
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine with MolForge

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Related Compounds

8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine
CID 178009641
8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine
CID 178009294
6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one
CID 178009553
7-chloro-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-c]pyridin-2-amine
CID 114286195
3-chloro-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 19626971
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 107040843
CID 178009175
CID 178009175
8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine
CID 178009676
3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine
CID 103883635
8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine
CID 178009435
4-tert-butyl-1-[(1-methyl-1,2,4-triazol-3-yl)methoxy]isoquinoline
CID 167341681
2-methylpyrazolo[4,3-d]pyrimidin-7-amine
CID 91165964

Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine?
The IUPAC name of 8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine (CID 178009496) is 8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine.
What is the SMILES notation for 8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine?
The canonical SMILES for 8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine is Cc1c(Cl)cncc1-c1ccc(OCc2ncn(C)n2)c2c(N)ncnc12.
What is the InChIKey of 8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine?
The InChIKey is LGZUGXRMCFZAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7O/c1-10-12(5-21-6-13(10)19)11-3-4-14(16-17(11)22-8-23-18(16)20)27-7-15-24-9-26(2)25-15/h3-6,8-9H,7H2,1-2H3,(H2,20,22,23).
What are the key properties of 8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine?
8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine has a molecular weight of 381.83 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine is sourced from PubChem (CID 178009496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).