6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine

C28H29N5O2 — CID 159897101

IUPAC6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine
SMILESCCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(C)n5)c(C)c4)c3c2)=N1
InChIInChI=1S/C28H29N5O2/c1-4-21-15-35-27(32-21)14-20-8-10-25-24(13-20)28(30-17-29-25)33-22-9-11-26(18(2)12-22)34-16-23-7-5-6-19(3)31-23/h5-13,17,21H,4,14-16H2,1-3H3,(H,29,30,33)
InChIKeyJSVQBNBGKMVPET-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.71
Rot. Bonds8

About 6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine

6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine (PubChem CID 159897101) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine
PubChem CID159897101
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine
SMILESCCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(C)n5)c(C)c4)c3c2)=N1
InChIInChI=1S/C28H29N5O2/c1-4-21-15-35-27(32-21)14-20-8-10-25-24(13-20)28(30-17-29-25)33-22-9-11-26(18(2)12-22)34-16-23-7-5-6-19(3)31-23/h5-13,17,21H,4,14-16H2,1-3H3,(H,29,30,33)
InChIKeyJSVQBNBGKMVPET-UHFFFAOYSA-N
XLogP5.71
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine
CID 159657362
[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine
CID 157116030
(2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide
CID 11569390
N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
CID 160872173
6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
CID 158157204
6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine
CID 159896098
N-[4-(1,3-benzothiazol-6-yloxy)-3-methylphenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
CID 58140039
N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
CID 159645699
[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;2-[(4S)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 160563901
6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine
CID 149171552
N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
CID 58140124
7-ethyl-N-(3-methylphenyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
CID 20747417

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine?
The IUPAC name of 6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine (CID 159897101) is 6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine.
What is the SMILES notation for 6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine?
The canonical SMILES for 6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine is CCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(C)n5)c(C)c4)c3c2)=N1.
What is the InChIKey of 6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine?
The InChIKey is JSVQBNBGKMVPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-4-21-15-35-27(32-21)14-20-8-10-25-24(13-20)28(30-17-29-25)33-22-9-11-26(18(2)12-22)34-16-23-7-5-6-19(3)31-23/h5-13,17,21H,4,14-16H2,1-3H3,(H,29,30,33).
What are the key properties of 6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine?
6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine has a molecular weight of 467.57 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 159897101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).