N-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine

C24H19ClN6O2 — CID 162652322

IUPACN-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine
SMILESCOc1ccccc1-n1cc(COc2cccc3cnc(Nc4cccc(Cl)c4)nc23)nn1
InChIInChI=1S/C24H19ClN6O2/c1-32-21-10-3-2-9-20(21)31-14-19(29-30-31)15-33-22-11-4-6-16-13-26-24(28-23(16)22)27-18-8-5-7-17(25)12-18/h2-14H,15H2,1H3,(H,26,27,28)
InChIKeyPHWMNCBJKLBCJQ-UHFFFAOYSA-N
MW458.91 g/mol
LogP5.20
Rot. Bonds7

About N-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine

N-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine (PubChem CID 162652322) has the molecular formula C24H19ClN6O2 and a molecular weight of 458.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine
PubChem CID162652322
Molecular FormulaC24H19ClN6O2
Molecular Weight458.91 g/mol
Exact Mass458.13
IUPAC NameN-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine
SMILESCOc1ccccc1-n1cc(COc2cccc3cnc(Nc4cccc(Cl)c4)nc23)nn1
InChIInChI=1S/C24H19ClN6O2/c1-32-21-10-3-2-9-20(21)31-14-19(29-30-31)15-33-22-11-4-6-16-13-26-24(28-23(16)22)27-18-8-5-7-17(25)12-18/h2-14H,15H2,1H3,(H,26,27,28)
InChIKeyPHWMNCBJKLBCJQ-UHFFFAOYSA-N
XLogP5.20
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.91
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(3-chloro-4-fluoroanilino)-7-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]quinazolin-6-yl]prop-2-enamide
CID 142735680
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(1H-1,2,3-triazol-1-yl)ethoxy]quinazolin-4-amine
CID 5329028
N-[4-(3-chloro-4-fluoroanilino)-7-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methoxy]quinazolin-6-yl]prop-2-enamide
CID 155524215
N-[4-(3-chloro-4-fluoroanilino)-7-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]quinazolin-6-yl]prop-2-enamide
CID 155527677
N-[4-(3-chloro-4-fluoroanilino)-7-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methoxy]quinazolin-6-yl]prop-2-enamide
CID 155542715
(3-Chloro-4-fluoro-phenyl)-[6-(2-imidazol-1-yl-ethoxy)-7-methoxy-quinazolin-4-yl]-amine
CID 19077506
N-(1-methyl-1H-pyrazol-3-yl)-6-(pyrazin-2-yloxy)quinazolin-4-amine
CID 23160279
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-4-imidazol-1-yl-2-methyl-quinoline
CID 44191138
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(2-methyl-imidazol-1-yl)-quinoline
CID 44191220
8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(1-methyl-1H-imidazol-2-yl)-quinoline
CID 44191223
8-(3,5-dichloro-pyridin-4-ylmethoxy)-4-(1,5-dimethyl-1H-imidazol-2-yl)-2-methylquinoline
CID 44191224
8-(cyclopropylmethoxy)-N-(2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)pyrido[3,4-d]pyrimidin-2-amine
CID 73386776

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine (CID 162652322) is N-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine is COc1ccccc1-n1cc(COc2cccc3cnc(Nc4cccc(Cl)c4)nc23)nn1.
What is the InChIKey of N-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine?
The InChIKey is PHWMNCBJKLBCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O2/c1-32-21-10-3-2-9-20(21)31-14-19(29-30-31)15-33-22-11-4-6-16-13-26-24(28-23(16)22)27-18-8-5-7-17(25)12-18/h2-14H,15H2,1H3,(H,26,27,28).
What are the key properties of N-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine?
N-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine has a molecular weight of 458.91 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-8-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine is sourced from PubChem (CID 162652322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).