N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine

C24H26N6O — CID 42641401

IUPACN-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine
SMILESCn1cc(-c2cc(Oc3ccc4nc(NCC5CCCCC5)ncc4c3)ccn2)cn1
InChIInChI=1S/C24H26N6O/c1-30-16-19(15-28-30)23-12-21(9-10-25-23)31-20-7-8-22-18(11-20)14-27-24(29-22)26-13-17-5-3-2-4-6-17/h7-12,14-17H,2-6,13H2,1H3,(H,26,27,29)
InChIKeyRCXWWGWFVLFOBB-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.21
Rot. Bonds6

About N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine

N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine (PubChem CID 42641401) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine
PubChem CID42641401
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine
SMILESCn1cc(-c2cc(Oc3ccc4nc(NCC5CCCCC5)ncc4c3)ccn2)cn1
InChIInChI=1S/C24H26N6O/c1-30-16-19(15-28-30)23-12-21(9-10-25-23)31-20-7-8-22-18(11-20)14-27-24(29-22)26-13-17-5-3-2-4-6-17/h7-12,14-17H,2-6,13H2,1H3,(H,26,27,29)
InChIKeyRCXWWGWFVLFOBB-UHFFFAOYSA-N
XLogP5.21
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine with MolForge

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Related Compounds

N-cyclohexyl-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325676
2-cyclohexyl-2-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]ethanol
CID 87421244
N-(cyclopentylmethyl)quinazolin-2-amine
CID 114788866
N-cyclohexyl-6-[[2-[1-(2-methoxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325750
1-(3-cyclopentyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 25242544
2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 86268065
4-[2-(cyclopentylamino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 42642424
2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine
CID 123273621
2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine
CID 141415020
1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 59322773
N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]naphthalene-1-carboxamide
CID 23649066
[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]hydrazine
CID 90446486

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine (CID 42641401) is N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine is Cn1cc(-c2cc(Oc3ccc4nc(NCC5CCCCC5)ncc4c3)ccn2)cn1.
What is the InChIKey of N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine?
The InChIKey is RCXWWGWFVLFOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-30-16-19(15-28-30)23-12-21(9-10-25-23)31-20-7-8-22-18(11-20)14-27-24(29-22)26-13-17-5-3-2-4-6-17/h7-12,14-17H,2-6,13H2,1H3,(H,26,27,29).
What are the key properties of N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine?
N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine has a molecular weight of 414.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]quinazolin-2-amine is sourced from PubChem (CID 42641401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).